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CHEBI:223317 - Andibenin A

ChEBI IDCHEBI:223317
ChEBI NameAndibenin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H32O7
Net Charge0
Average Mass444.524
Monoisotopic Mass444.21480
SMILESCC1(C)OC(=O)C=CC12CC[C@]13C[C@]4(C)C(=O)[C@](C)(C[C@H]1[C@@]2(C)O)[C@]31COC(=O)[C@H]1[C@H]4O
InChIInChI=1S/C25H32O7/c1-19(2)24(7-6-14(26)32-19)9-8-23-11-20(3)16(27)15-17(28)31-12-25(15,23)21(4,18(20)29)10-13(23)22(24,5)30/h6-7,13,15-16,27,30H,8-12H2,1-5H3/t13-,15+,16+,20-,21-,22+,23-,24?,25+/m0/s1
InChIKeyNWYDCUYRVQYSRT-SBCLSSRISA-N
Species of MetaboliteComponentSourceComments
Aspergillus stellatus (ncbitaxon:1549217) - DOI (10.1039/p19790002118)
ChEBI Ontology
Outgoing Relation(s)
Andibenin A (CHEBI:223317) is a diterpene lactone (CHEBI:49193)