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CHEBI:222809 - Divirensol D

ChEBI IDCHEBI:222809
ChEBI NameDivirensol D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H42O9
Net Charge0
Average Mass534.646
Monoisotopic Mass534.28288
SMILESCC(C)[C@H]1CCC(CO)=C[C@@H]1C=C(CO)C(=O)OC[C@]1(O)CC[C@H](C(C)C)[C@H]2C=C(C(=O)O)COC(=O)[C@@H]21
InChIInChI=1S/C29H42O9/c1-16(2)22-6-5-18(12-30)9-19(22)10-20(13-31)27(34)38-15-29(36)8-7-23(17(3)4)24-11-21(26(32)33)14-37-28(35)25(24)29/h9-11,16-17,19,22-25,30-31,36H,5-8,12-15H2,1-4H3,(H,32,33)/t19-,22-,23-,24-,25-,29-/m1/s1
InChIKeyRCOCBDNPQGVEDL-JSWYNFOLSA-N
Species of MetaboliteComponentSourceComments
Trichoderma (ncbitaxon:5543) - PubMed (30596497)
ChEBI Ontology
Outgoing Relation(s)
Divirensol D (CHEBI:222809) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(5aS,6R,9S,9aS)-9-hydroxy-9-[[2-(hydroxymethyl)-3-[(1R,6R)-3-(hydroxymethyl)-6-propan-2-ylcyclohex-2-en-1-yl]prop-2-enoyl]oxymethyl]-1-oxo-6-propan-2-yl-3,5a,6,7,8,9a-hexahydro-2-benzoxepine-4-carboxylic acid