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    Chemistry

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    Also known as:
    Molecular Formula
    C46H50O20
    Molecular Weight
    922.9  g/mol
    InChI Key
    ZESREECJGPNRQI-JNYUIMQPSA-N
    Aniseed
    1 2D Structure

    Aniseed

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    chromen-2-one;2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;1-methoxy-4-[(E)-prop-1-enyl]benzene;(2R,3S,4S,5S)-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
    2.1.2 InChI
    InChI=1S/C15H10O7.C12H22O10.C10H12O.C9H6O2/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6;1-3-5(13)7(15)10(18)12(21-3)20-2-4-6(14)8(16)9(17)11(19)22-4;1-3-4-9-5-7-10(11-2)8-6-9;10-9-6-5-7-3-1-2-4-8(7)11-9/h1-5,16-19,21H;3-19H,2H2,1H3;3-8H,1-2H3;1-6H/b;;4-3+;/t;3-,4?,5-,6+,7+,8-,9-,10+,11+,12+;;/m.0../s1
    2.1.3 InChI Key
    ZESREECJGPNRQI-JNYUIMQPSA-N
    2.1.4 Canonical SMILES
    CC=CC1=CC=C(C=C1)OC.CC1C(C(C(C(O1)OCC2C(C(C(C(O2)O)O)O)O)O)O)O.C1=CC=C2C(=C1)C=CC(=O)O2.C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O
    2.1.5 Isomeric SMILES
    C/C=C/C1=CC=C(C=C1)OC.C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OCC2[C@H]([C@@H]([C@@H]([C@@H](O2)O)O)O)O)O)O)O.C1=CC=C2C(=C1)C=CC(=O)O2.C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O
    2.2 Create Date
    2006-06-06
    3 Chemical and Physical Properties
    Molecular Weight 922.9 g/mol
    Molecular Formula C46H50O20
    Hydrogen Bond Donor Count12
    Hydrogen Bond Acceptor Count20
    Rotatable Bond Count6
    Exact Mass922.28954398 g/mol
    Monoisotopic Mass922.28954398 g/mol
    Topological Polar Surface Area332 Ų
    Heavy Atom Count66
    Formal Charge0
    Complexity1170
    Isotope Atom Count0
    Defined Atom Stereocenter Count9
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count4

    API Reference Price

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    [{"dataSource":"API Import","activeIngredients":"","year":"2024","qtr":"Q1","strtotime":1708108200,"product":"ANETHOLE EX STAR ANISEED, NAT (COO - CHINA)","address":"PLOT NO.26,2ND CROSS,JIGANI","city":"BANGALORE","supplier":"GIVAUDAN SINGAPORE PTE ","supplierCountry":"CHINA","foreign_port":"SINGAPORE","customer":"GIVAUDAN INDIA PRIVATE ","customerCountry":"INDIA","quantity":"50.00","actualQuantity":"50","unit":"KGS","unitRateFc":"40.6","totalValueFC":"2053.8","currency":"USD","unitRateINR":"3408.3","date":"17-Feb-2024","totalValueINR":"170414.15","totalValueInUsd":"2053.8","indian_port":"Bombay Air","hs_no":"29093090","bill_no":"2192372","productDescription":"API","marketType":"REGULATED MARKET","country":"CHINA","selfForZScoreResived":"Pharma Grade","supplierPort":"SINGAPORE","supplierAddress":"1 WOODLANDS AVE 8, SINGAPORE 738972, , SINGAPORESDNF SINGAPORE","customerAddress":"PLOT NO.26,2ND CROSS,JIGANI"},{"dataSource":"API Import","activeIngredients":"","year":"2024","qtr":"Q1","strtotime":1709577000,"product":"ANETHOLE EX STAR ANISEED, NAT (COO - CHINA)","address":"PLOT NO.26,2ND CROSS,JIGANI","city":"BANGALORE","supplier":"PURONG ESSENCES MFG.CO.LTD.","supplierCountry":"CHINA","foreign_port":"SHANGHAI - PU DONG","customer":"GIVAUDAN INDIA PRIVATE ","customerCountry":"INDIA","quantity":"50.00","actualQuantity":"50","unit":"KGS","unitRateFc":"21.5","totalValueFC":"1389.9","currency":"USD","unitRateINR":"2308.3","date":"05-Mar-2024","totalValueINR":"115413.73","totalValueInUsd":"1389.9","indian_port":"Bombay Air","hs_no":"29093090","bill_no":"2434477","productDescription":"API","marketType":"REGULATED MARKET","country":"CHINA","selfForZScoreResived":"Pharma Grade","supplierPort":"SHANGHAI - PU DONG","supplierAddress":"32 ZHOUXIN ROAD, ZHOUSHI KUNSHAN CITY,JIANGSU PROVINCE CHINASDNF CHINA","customerAddress":"PLOT NO.26,2ND CROSS,JIGANI"},{"dataSource":"API Import","activeIngredients":"","year":"2024","qtr":"Q3","strtotime":1722191400,"product":"ANETHOLE EX STAR ANISEED,NAT","address":"PLOT NO.26,2ND CROSS,JIGANI","city":"BANGALORE","supplier":"GIVAUDAN SINGAPORE PTE ","supplierCountry":"CHINA","foreign_port":"SINGAPORE","customer":"GIVAUDAN INDIA PRIVATE ","customerCountry":"INDIA","quantity":"100.00","actualQuantity":"100","unit":"KGS","unitRateFc":"32.5","totalValueFC":"3287.3","currency":"USD","unitRateINR":"2747.9","date":"29-Jul-2024","totalValueINR":"274791.95","totalValueInUsd":"3287.3","indian_port":"JNPT","hs_no":"29093090","bill_no":"4757909","productDescription":"API","marketType":"REGULATED MARKET","country":"CHINA","selfForZScoreResived":"Pharma Grade","supplierPort":"SINGAPORE","supplierAddress":"1 WOODLANDS AVE 8SINGAPORE 738972SDNF SINGAPORE","customerAddress":"PLOT NO.26,2ND CROSS,JIGANI"},{"dataSource":"API Import","activeIngredients":"","year":"2024","qtr":"Q4","strtotime":1728239400,"product":"ANETHOLE EX STAR ANISEED,NAT","address":"PLOT NO.26,2ND CROSS,JIGANI","city":"BANGALORE","supplier":"GIVAUDAN SINGAPORE PTE ","supplierCountry":"FRANCE","foreign_port":"SINGAPORE","customer":"GIVAUDAN INDIA PRIVATE ","customerCountry":"INDIA","quantity":"49.90","actualQuantity":"49.9","unit":"KGS","unitRateFc":"32.5","totalValueFC":"1637.7","currency":"USD","unitRateINR":"2757.7","date":"07-Oct-2024","totalValueINR":"137607.72","totalValueInUsd":"1637.7","indian_port":"JNPT","hs_no":"29093090","bill_no":"6001355","productDescription":"API","marketType":"REGULATED MARKET","country":"FRANCE","selfForZScoreResived":"Pharma Grade","supplierPort":"SINGAPORE","supplierAddress":"1 WOODLANDS AVE 8 SINGAPORE 738972 SDNF SINGAPORE","customerAddress":"PLOT NO.26,2ND CROSS,JIGANI"}]
    17-Feb-2024
    07-Oct-2024
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