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CHEBI:222821 - Divirensol F

ChEBI IDCHEBI:222821
ChEBI NameDivirensol F
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)O[C@@]12CC[C@H](C(C)C)[C@@H](C=C(CO)C(=O)O)[C@@H]1C(=O)OC2
InChIInChI=1S/C29H42O9/c1-16(2)22-6-5-18(12-30)9-19(22)10-21(14-32)27(35)38-29-8-7-23(17(3)4)24(11-20(13-31)26(33)34)25(29)28(36)37-15-29/h9-11,16-17,19,22-25,30-32H,5-8,12-15H2,1-4H3,(H,33,34)/t19-,22-,23-,24-,25-,29-/m1/s1
InChIKeySURXDMKZUNYPPX-JSWYNFOLSA-N
Species of MetaboliteComponentSourceComments
Trichoderma (ncbitaxon:5543) - PubMed (30596497)
ChEBI Ontology
Outgoing Relation(s)
Divirensol F (CHEBI:222821) is a terpene lactone (CHEBI:37668)
IUPAC Name 
3-[(3aS,4S,5R,7aS)-7a-[2-(hydroxymethyl)-3-[(1R,6R)-3-(hydroxymethyl)-6-propan-2-ylcyclohex-2-en-1-yl]prop-2-enoyl]oxy-3-oxo-5-propan-2-yl-1,3a,4,5,6,7-hexahydro-2-benzouran-4-yl]-2-(hydroxymethyl)prop-2-enoic acid