(Q104976307)

English

Purpureacin 2

group of stereoisomers with the chemical formula C₃₇H₆₆O₈

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Statements

instance of

group of stereoisomers

0 references

1 reference

638.475769072 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₇H₆₆O₈

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canonical SMILES

O=C1OC(C=C1CC(O)CCCCCCCC(O)CCC(O)C2OC(CC2)C3OC(CC3)C(O)CCCCCCCCCC)C

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found in taxon

Annona crassiflora

1 reference

stated in

Grossamide and N-trans-caffeoyltyramine from Annona crassiflora seeds

Identifiers

InChI

InChI=1S/C37H66O8/c1-3-4-5-6-7-8-12-15-18-31(40)33-21-23-35(44-33)36-24-22-34(45-36)32(41)20-19-29(38)16-13-10-9-11-14-17-30(39)26-28-25-27(2)43-37(28)42/h25,27,29-36,38-41H,3-24,26H2,1-2H3

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InChIKey

DDFDZKSKODBLSR-UHFFFAOYSA-N

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CAS Registry Number

149990-60-3

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DDFDZKSKODBLSR-UHFFFAOYSA-N

1 reference

1 reference

matched by identifier from

InChIKey

DDFDZKSKODBLSR-UHFFFAOYSA-N

Human Metabolome Database ID

HMDB0040839

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

DDFDZKSKODBLSR-UHFFFAOYSA-N

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