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CHEBI:222798 - Divirensol B

ChEBI IDCHEBI:222798
ChEBI NameDivirensol B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H40O10
Net Charge0
Average Mass560.640
Monoisotopic Mass560.26215
SMILESCC(C)[C@H]1CC[C@@](O)(COC(=O)C(=C[C@H]2C3=C(CC[C@@H]2C(C)C)COC3=O)CO)[C@H]2C(=O)OCC(C(=O)O)=C[C@H]12
InChIInChI=1S/C30H40O10/c1-15(2)20-6-5-17-12-38-28(35)24(17)22(20)9-18(11-31)27(34)40-14-30(37)8-7-21(16(3)4)23-10-19(26(32)33)13-39-29(36)25(23)30/h9-10,15-16,20-23,25,31,37H,5-8,11-14H2,1-4H3,(H,32,33)/t20-,21-,22-,23-,25-,30-/m1/s1
InChIKeyGINWPXGJOUQXPN-KIHJTCAPSA-N
Species of MetaboliteComponentSourceComments
Trichoderma (ncbitaxon:5543) - PubMed (30596497)
ChEBI Ontology
Outgoing Relation(s)
Divirensol B (CHEBI:222798) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(5aS,6R,9S,9aS)-9-hydroxy-9-[[2-(hydroxymethyl)-3-[(4S,5R)-3-oxo-5-propan-2-yl-4,5,6,7-tetrahydro-1H-2-benzouran-4-yl]prop-2-enoyl]oxymethyl]-1-oxo-6-propan-2-yl-3,5a,6,7,8,9a-hexahydro-2-benzoxepine-4-carboxylic acid