(Q105180016)

English

14-Ethylidene-4,15-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-2,10,16,20-tetraoxatetracyclo[21.2.2.13,7.013,18]octacosa-1(25),3,5,7(28),17,23,26-heptaene-11,19-dione

group of stereoisomers with the chemical formula C₃₈H₄₆O₁₈

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instance of

group of stereoisomers

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subclass of

secoiridoid monoterpenoid

1 reference

inferred from

secoiridoid monoterpenoid

mass

790.7625 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₈H₄₆O₁₈

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canonical SMILES

O=C1OCCC2=CC=C(OC3=CC(=CC=C3OC4OC(CO)C(O)C(O)C4O)CCOC(=O)CC5C1=COC(OC6OC(CO)C(O)C(O)C6O)C5=CC)C=C2

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Identifiers

InChI

InChI=1S/C38H46O18/c1-2-21-22-14-28(41)49-11-10-19-5-8-24(53-37-33(46)31(44)29(42)26(15-39)54-37)25(13-19)52-20-6-3-18(4-7-20)9-12-50-35(48)23(22)17-51-36(21)56-38-34(47)32(45)30(43)27(16-40)55-38/h2-8,13,17,22,26-27,29-34,36-40,42-47H,9-12,14-16H2,1H3

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InChIKey

NIWFKQUNBXVWOX-UHFFFAOYSA-N

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PubChem CID

163076167

1 reference

based on heuristic

inferred from InChIKey

(Q105180016)

14-Ethylidene-4,15-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-2,10,16,20-tetraoxatetracyclo[21.2.2.13,7.013,18]octacosa-1(25),3,5,7(28),17,23,26-heptaene-11,19-dione

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