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CHEBI:225668 - Trivirensol D

ChEBI IDCHEBI:225668
ChEBI NameTrivirensol D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H62O14
Net Charge0
Average Mass814.966
Monoisotopic Mass814.41396
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]4C=C(CO)CC[C@@H]4C(C)C)CO)[C@H]3C(=O)OC2)[C@H]2C(=O)OCC(C(=O)O)=C[C@H]12
InChIInChI=1S/C44H62O14/c1-23(2)31-8-7-26(17-45)13-27(31)14-28(18-46)39(49)57-21-43(53)12-10-33(25(5)6)35-16-30(20-56-42(52)37(35)43)40(50)58-22-44(54)11-9-32(24(3)4)34-15-29(38(47)48)19-55-41(51)36(34)44/h13-16,23-25,27,31-37,45-46,53-54H,7-12,17-22H2,1-6H3,(H,47,48)/b28-14+/t27-,31-,32-,33-,34-,35-,36-,37-,43-,44-/m1/s1
InChIKeyIPTXEURWLQCBFO-PQBHEWIPSA-N
Species of MetaboliteComponentSourceComments
Trichoderma (ncbitaxon:5543) - PubMed (31625738)
ChEBI Ontology
Outgoing Relation(s)
Trivirensol D (CHEBI:225668) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(5aS,6R,9S,9aS)-9-[[(5aS,6R,9S,9aS)-9-hydroxy-9-[[(E)-2-(hydroxymethyl)-3-[(1R,6R)-3-(hydroxymethyl)-6-propan-2-ylcyclohex-2-en-1-yl]prop-2-enoyl]oxymethyl]-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