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CHEBI:216248 - Aspterpenacid B

ChEBI IDCHEBI:216248
ChEBI NameAspterpenacid B
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FormulaC25H40O4
Net Charge0
Average Mass404.591
Monoisotopic Mass404.29266
SMILESCC(C)[C@H]1CC[C@]2(C)[C@@H](O)[C@@H]3[C@@H](C)CC[C@@]45[C@@H](CC[C@@H]4C)[C@]5(C(=O)O)[C@@]3(O)C[C@@H]12
InChIInChI=1S/C25H40O4/c1-13(2)16-9-10-22(5)17(16)12-24(29)19(20(22)26)14(3)8-11-23-15(4)6-7-18(23)25(23,24)21(27)28/h13-20,26,29H,6-12H2,1-5H3,(H,27,28)/t14-,15-,16+,17-,18+,19-,20-,22-,23-,24+,25+/m0/s1
InChIKeyUNEUBHPEGNVSJI-OUCWJSKGSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (26938636)
ChEBI Ontology
Outgoing Relation(s)
Aspterpenacid B (CHEBI:216248) is a scalarane sesterterpenoid (CHEBI:59370)
IUPAC Name 
(1R,2R,3R,6S,7S,10S,11S,12S,13S,16R,17S)-1,12-dihydroxy-6,10,13-trimethyl-16-propan-2-ylpentacyclo[9.7.0.02,7.03,7.013,17]octadecane-2-carboxylic acid
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78439301ChemSpider