(Q105232579)

English

(2E,4E,6E,8E,10E,12E,14E)-20-methoxy-4,8,13,17-tetramethyl-20-oxoicosa-2,4,6,8,10,12,14,16,18-nonaenoic acid

chemical compound

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Statements

type of chemical entity

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biogenic acyclic ester

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394.21440944 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₀O₄

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canonical SMILES

O=C(O)C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC(=O)OC)C)C)C)C

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isomeric SMILES

COC(=O)C=CC(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C(=O)O

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based on heuristic

inferred from InChI

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Terpenoids and an apocarotenoid from seeds of Bixa orellana

Identifiers

InChI=1S/C25H30O4/c1-20(12-8-14-22(3)16-18-24(26)27)10-6-7-11-21(2)13-9-15-23(4)17-19-25(28)29-5/h6-19H,1-5H3,(H,26,27)/b7-6+,12-8+,13-9+,18-16+,19-17?,20-10+,21-11+,22-14+,23-15?

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RAFGELQLHMBRHD-VFYVRILKSA-N

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matched by identifier from

RAFGELQLHMBRHD-VFYVRILKSA-N

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