(Q104195391)

English

3,15-Dihydroxy-16-[11-hydroxy-2-(3-hydroxy-4,6-dimethyloct-6-en-2-yl)-4-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-8-yl]-14-methylheptadeca-4,6,8,10,12-pentaenoic acid

group of stereoisomers with the chemical formula C₄₀H₆₄O₉

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Statements

instance of

group of stereoisomers

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subclass of

biogenic 1,7-dioxaspiro(5.5)undecane

1 reference

inferred from

biogenic 1,7-dioxaspiro(5.5)undecane

mass

688.4550336280001 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₀H₆₄O₉

0 references

canonical SMILES

O=C(O)CC(O)C=CC=CC=CC=CC=CC(C)C(O)C(C)C1OC2(OC(C(C)C(O)C(C)CC(=CC)C)C(C)C(OC)C2)C(O)CC1C

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Identifiers

InChI

InChI=1S/C40H64O9/c1-10-25(2)21-27(4)37(46)31(8)39-29(6)33(47-9)24-40(49-39)34(42)22-28(5)38(48-40)30(7)36(45)26(3)19-17-15-13-11-12-14-16-18-20-32(41)23-35(43)44/h10-20,26-34,36-39,41-42,45-46H,21-24H2,1-9H3,(H,43,44)

0 references

InChIKey

PSVPDXVFSGXMBY-UHFFFAOYSA-N

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PubChem CID

163062292

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

PSVPDXVFSGXMBY-UHFFFAOYSA-N

(Q104195391)

3,15-Dihydroxy-16-[11-hydroxy-2-(3-hydroxy-4,6-dimethyloct-6-en-2-yl)-4-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-8-yl]-14-methylheptadeca-4,6,8,10,12-pentaenoic acid

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