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CHEBI:225674 - Trivirensol E

ChEBI IDCHEBI:225674
ChEBI NameTrivirensol E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H62O14
Net Charge0
Average Mass814.966
Monoisotopic Mass814.41396
SMILESCC(C)[C@H]1CC[C@@](O)(COC(=O)/C(=C/[C@H]2C=C(CO)CC[C@@H]2C(C)C)CO)[C@H]2C(=O)OCC(C(=O)O[C@@]34CC[C@H](C(C)C)[C@@H](/C=C(\CO)C(=O)O)[C@@H]3C(=O)OC4)=C[C@H]12
InChIInChI=1S/C44H62O14/c1-23(2)31-8-7-26(17-45)13-27(31)14-29(19-47)39(50)56-21-43(54)11-9-32(24(3)4)34-16-30(20-55-41(52)36(34)43)40(51)58-44-12-10-33(25(5)6)35(15-28(18-46)38(48)49)37(44)42(53)57-22-44/h13-16,23-25,27,31-37,45-47,54H,7-12,17-22H2,1-6H3,(H,48,49)/b28-15+,29-14+/t27-,31-,32-,33-,34-,35-,36-,37-,43-,44-/m1/s1
InChIKeyCJKDKUQKMACLGX-FACKWFBASA-N
Species of MetaboliteComponentSourceComments
Trichoderma (ncbitaxon:5543) - PubMed (31625738)
ChEBI Ontology
Outgoing Relation(s)
Trivirensol E (CHEBI:225674) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(E)-3-[(3aS,4S,5R,7aS)-7a-[(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]oxy-3-oxo-5-propan-2-yl-1,3a,4,5,6,7-hexahydro-2-benzouran-4-yl]-2-(hydroxymethyl)prop-2-enoic acid
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