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CHEBI:225663 - Trivirensol C

ChEBI IDCHEBI:225663
ChEBI NameTrivirensol C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC45H62O16
Net Charge0
Average Mass858.975
Monoisotopic Mass858.40379
SMILESCC(C)[C@H]1CC[C@@](O)(COC(=O)C2=C[C@@H]3[C@@H](C(C)C)CC[C@@](O)(COC(=O)/C(=C/[C@@H]4[C@@H](C(C)C)CC[C@@]5(O)COC(=O)[C@@H]45)CO)[C@H]3C(=O)OC2)[C@H]2C(=O)OCC(C(=O)O)=C[C@H]12
InChIInChI=1S/C45H62O16/c1-22(2)28-7-12-45(56)21-61-42(53)36(45)31(28)13-25(16-46)38(49)59-19-43(54)11-9-30(24(5)6)33-15-27(18-58-41(52)35(33)43)39(50)60-20-44(55)10-8-29(23(3)4)32-14-26(37(47)48)17-57-40(51)34(32)44/h13-15,22-24,28-36,46,54-56H,7-12,16-21H2,1-6H3,(H,47,48)/b25-13+/t28-,29-,30-,31-,32-,33-,34-,35-,36-,43-,44-,45-/m1/s1
InChIKeyOZSWIYLDENFVQM-ACQBYUCJSA-N
Species of MetaboliteComponentSourceComments
Trichoderma (ncbitaxon:5543) - PubMed (31625738)
ChEBI Ontology
Outgoing Relation(s)
Trivirensol C (CHEBI:225663) has functional parent pentacarboxylic acid (CHEBI:35743)
Trivirensol C (CHEBI:225663) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(5aS,6R,9S,9aS)-9-[[(5aS,6R,9S,9aS)-9-[[(E)-3-[(3aS,4S,5R,7aS)-7a-hydroxy-3-oxo-5-propan-2-yl-1,3a,4,5,6,7-hexahydro-2-benzouran-4-yl]-2-(hydroxymethyl)prop-2-enoyl]oxymethyl]-9-hydroxy-1-oxo-6-propan-2-yl-3,5a,6,7,8,9a-hexahydro-2-benzoxepine-4-carbonyl]oxymethyl]-9-hydroxy-1-oxo-6-propan-2-yl-3,5a,6,7,8,9a-hexahydro-2-benzoxepine-4-carboxylic acid
Manual XrefsDatabases
128441170ChemSpider