(Q105187873)

English

18-(2,4-dihydroxy-2,6,6-trimethylcyclohexylidene)-1-{4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl}-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15,17-octaen-2-one

group of stereoisomers with the chemical formula C₄₀H₅₆O₅

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instance of

group of stereoisomers

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1 reference

616.412774892 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₀H₅₆O₅

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canonical SMILES

O=C(C(=CC=CC(=CC=CC=C(C=CC=C(C=C=C1C(O)(C)CC(O)CC1(C)C)C)C)C)C)CC23OC3(C)CC(O)CC2(C)C

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Identifiers

InChI

InChI=1S/C40H56O5/c1-28(17-13-18-30(3)21-22-35-36(5,6)23-32(41)25-38(35,9)44)15-11-12-16-29(2)19-14-20-31(4)34(43)27-40-37(7,8)24-33(42)26-39(40,10)45-40/h11-21,32-33,41-42,44H,23-27H2,1-10H3

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InChIKey

NZEPSBGUXWWWSI-UHFFFAOYSA-N

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PubChem CID

607588

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

NZEPSBGUXWWWSI-UHFFFAOYSA-N

1 reference

Human Metabolome Database ID

HMDB0252510

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

NZEPSBGUXWWWSI-UHFFFAOYSA-N

(Q105187873)

18-(2,4-dihydroxy-2,6,6-trimethylcyclohexylidene)-1-{4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl}-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15,17-octaen-2-one

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