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CHEBI:222789 - Divirensol A

ChEBI IDCHEBI:222789
ChEBI NameDivirensol A
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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]2C3=C(CC[C@@H]2C(C)C)COC3=O)CO)[C@@H](C(=O)O)[C@@H]1C=C(CO)C(=O)O
InChIInChI=1S/C30H42O11/c1-15(2)20-6-5-17-13-40-29(38)24(17)22(20)10-19(12-32)28(37)41-14-30(39)8-7-21(16(3)4)23(25(30)27(35)36)9-18(11-31)26(33)34/h9-10,15-16,20-23,25,31-32,39H,5-8,11-14H2,1-4H3,(H,33,34)(H,35,36)/t20-,21-,22-,23-,25-,30-/m1/s1
InChIKeyMCQCYJMDPZKQKM-KIHJTCAPSA-N
Species of MetaboliteComponentSourceComments
Trichoderma (ncbitaxon:5543) - PubMed (30596497)
ChEBI Ontology
Outgoing Relation(s)
Divirensol A (CHEBI:222789) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(1S,2S,5R,6S)-6-(2-carboxy-3-hydroxyprop-1-enyl)-2-hydroxy-2-[[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]-5-propan-2-ylcyclohexane-1-carboxylic acid