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CHEBI:222815 - Divirensol E

ChEBI IDCHEBI:222815
ChEBI NameDivirensol E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H42O9
Net Charge0
Average Mass534.646
Monoisotopic Mass534.28288
SMILESCC(C)[C@H]1CC[C@@](O)(COC(=O)C2=C[C@H]3[C@@H](OC2)[C@H](CO)CC[C@@H]3C(C)C)[C@H]2C(=O)OCC(C(=O)O)=C[C@H]12
InChIInChI=1S/C29H42O9/c1-15(2)20-6-5-17(11-30)25-23(20)10-19(13-36-25)27(33)38-14-29(35)8-7-21(16(3)4)22-9-18(26(31)32)12-37-28(34)24(22)29/h9-10,15-17,20-25,30,35H,5-8,11-14H2,1-4H3,(H,31,32)/t17-,20+,21+,22+,23+,24+,25-,29+/m0/s1
InChIKeyLQIQDERLRLWXOU-IXRVPYFFSA-N
Species of MetaboliteComponentSourceComments
Trichoderma (ncbitaxon:5543) - PubMed (30596497)
ChEBI Ontology
Outgoing Relation(s)
Divirensol E (CHEBI:222815) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(5aS,6R,9S,9aS)-9-[[(4aS,5R,8S,8aR)-8-(hydroxymethyl)-5-propan-2-yl-4a,5,6,7,8,8a-hexahydro-2H-chromene-3-carbonyl]oxymethyl]-9-hydroxy-1-oxo-6-propan-2-yl-3,5a,6,7,8,9a-hexahydro-2-benzoxepine-4-carboxylic acid
Manual XrefsDatabases
128438535ChemSpider