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CHEBI:222801 - Divirensol C

ChEBI IDCHEBI:222801
ChEBI NameDivirensol C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H42O11
Net Charge0
Average Mass578.655
Monoisotopic Mass578.27271
SMILESCC(C)[C@H]1CC[C@@](O)(COC(=O)C(=C[C@@H]2[C@@H](C(C)C)CC[C@@]3(O)COC(=O)[C@@H]23)CO)[C@H]2C(=O)OCC(C(=O)O)=C[C@H]12
InChIInChI=1S/C30H42O11/c1-15(2)19-5-8-30(38)14-41-28(36)24(30)21(19)9-17(11-31)26(34)40-13-29(37)7-6-20(16(3)4)22-10-18(25(32)33)12-39-27(35)23(22)29/h9-10,15-16,19-24,31,37-38H,5-8,11-14H2,1-4H3,(H,32,33)/t19-,20-,21-,22-,23-,24-,29-,30-/m1/s1
InChIKeyWHDXIPRXUGLIGZ-HTJWLFBRSA-N
Species of MetaboliteComponentSourceComments
Trichoderma (ncbitaxon:5543) - PubMed (30596497)
ChEBI Ontology
Outgoing Relation(s)
Divirensol C (CHEBI:222801) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(5aS,6R,9S,9aS)-9-[[3-[(3aS,4S,5R,7aS)-7a-hydroxy-3-oxo-5-propan-2-yl-1,3a,4,5,6,7-hexahydro-2-benzouran-4-yl]-2-(hydroxymethyl)prop-2-enoyl]oxymethyl]-9-hydroxy-1-oxo-6-propan-2-yl-3,5a,6,7,8,9a-hexahydro-2-benzoxepine-4-carboxylic acid