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CHEBI:223322 - Andibenin C

ChEBI IDCHEBI:223322
ChEBI NameAndibenin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H32O6
Net Charge0
Average Mass428.525
Monoisotopic Mass428.21989
SMILESCC1(C)OC(=O)C=CC12CC[C@@]13C[C@@]4(C)C[C@@H]5C(=O)OC[C@]51[C@@](C)(C[C@H]3[C@@]2(C)O)C4=O
InChIInChI=1S/C25H32O6/c1-19(2)24(7-6-16(26)31-19)9-8-23-12-20(3)10-14-17(27)30-13-25(14,23)21(4,18(20)28)11-15(23)22(24,5)29/h6-7,14-15,29H,8-13H2,1-5H3/t14-,15+,20-,21+,22-,23+,24?,25-/m1/s1
InChIKeyGBNBQQDHHWSDNM-KCOSUUTESA-N
Species of MetaboliteComponentSourceComments
Aspergillus stellatus (ncbitaxon:1549217) - DOI (10.1039/p19790002118)
ChEBI Ontology
Outgoing Relation(s)
Andibenin C (CHEBI:223322) is a diterpene lactone (CHEBI:49193)