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CHEBI:207015 - Divirensol H

ChEBI IDCHEBI:207015
ChEBI NameDivirensol H
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H49ClO12
Net Charge0
Average Mass661.185
Monoisotopic Mass660.29125
SMILESCOC(=O)C1[C@H](/C=C(\CO)C(=O)O)[C@@H](C(C)C)CC[C@@]1(O)COC(=O)/C(=C/[C@@H]1[C@@H](C(C)C)CC[C@@](O)(CCl)[C@H]1C(=O)OC)CO
InChIInChI=1S/C32H49ClO12/c1-17(2)21-7-9-31(41,15-33)25(29(39)43-5)24(21)12-20(14-35)28(38)45-16-32(42)10-8-22(18(3)4)23(26(32)30(40)44-6)11-19(13-34)27(36)37/h11-12,17-18,21-26,34-35,41-42H,7-10,13-16H2,1-6H3,(H,36,37)/b19-11+,20-12+/t21-,22-,23-,24-,25-,26?,31-,32-/m1/s1
InChIKeyKXSAYNFUSAEKGT-ILYLSRCFSA-N
Species of MetaboliteComponentSourceComments
Trichoderma virens (ncbitaxon:29875) - PubMed (31479255)
ChEBI Ontology
Outgoing Relation(s)
Divirensol H (CHEBI:207015) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(E)-3-[(1S,3S,6R)-3-[[(E)-3-[(1S,2S,3S,6R)-3-(chloromethyl)-3-hydroxy-2-methoxycarbonyl-6-propan-2-ylcyclohexyl]-2-(hydroxymethyl)prop-2-enoyl]oxymethyl]-3-hydroxy-2-methoxycarbonyl-6-propan-2-ylcyclohexyl]-2-(hydroxymethyl)prop-2-enoic acid