(Q105007585)

English

Erythrodiol 3-decanoate

group of stereoisomers with the chemical formula C₄₀H₆₈O₃

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Statements

group of stereoisomers

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oleanane triterpenoid

1 reference

oleanane triterpenoid

596.516846036 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₀H₆₈O₃

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canonical SMILES

O=C(OC1CCC2(C)C3CC=C4C5CC(C)(C)CCC5(CO)CCC4(C)C3(C)CCC2C1(C)C)CCCCCCCCC

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Identifiers

InChI=1S/C40H68O3/c1-9-10-11-12-13-14-15-16-34(42)43-33-20-21-37(6)31(36(33,4)5)19-22-39(8)32(37)18-17-29-30-27-35(2,3)23-25-40(30,28-41)26-24-38(29,39)7/h17,30-33,41H,9-16,18-28H2,1-8H3

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GFJZQJRUULUPGX-UHFFFAOYSA-N

0 references

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

GFJZQJRUULUPGX-UHFFFAOYSA-N

mapping relation type

2 references

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI=1S/C40H68O3/c1-9-10-11-12-13-14-15-16-34(42)43-33-20-21-37(6)31(36(33,4)5)19-22-39(8)32(37)18-17-29-30-27-35(2,3)23-25-40(30,28-41)26-24-38(29,39)7/h17,30-33,41H,9-16,18-28H2,1-8H3

UniChem compound ID

1 reference

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

GFJZQJRUULUPGX-UHFFFAOYSA-N

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