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CHEBI:225685 - Trivirensol G

ChEBI IDCHEBI:225685
ChEBI NameTrivirensol G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H64O17
Net Charge0
Average Mass876.990
Monoisotopic Mass876.41435
SMILESCC(C)[C@H]1CC[C@@](O)(COC(=O)/C(=C/[C@@H]2[C@@H](C(C)C)CC[C@@]3(O)COC(=O)[C@@H]23)CO)[C@@H](C(=O)O)[C@@H]1/C=C(\CO)C(=O)O[C@@]12CC[C@H](C(C)C)[C@@H](/C=C(\CO)C(=O)O)[C@@H]1C(=O)OC2
InChIInChI=1S/C45H64O17/c1-22(2)28-7-10-43(57,19-59-39(53)26(17-47)14-32-29(23(3)4)8-11-44(58)20-60-41(55)35(32)44)34(38(51)52)31(28)15-27(18-48)40(54)62-45-12-9-30(24(5)6)33(13-25(16-46)37(49)50)36(45)42(56)61-21-45/h13-15,22-24,28-36,46-48,57-58H,7-12,16-21H2,1-6H3,(H,49,50)(H,51,52)/b25-13+,26-14+,27-15+/t28-,29-,30-,31-,32-,33-,34-,35-,36-,43-,44-,45-/m1/s1
InChIKeyVUDGRKLUMAAASW-OGFCOVEESA-N
Species of MetaboliteComponentSourceComments
Trichoderma (ncbitaxon:5543) - PubMed (31625738)
ChEBI Ontology
Outgoing Relation(s)
Trivirensol G (CHEBI:225685) has functional parent pentacarboxylic acid (CHEBI:35743)
Trivirensol G (CHEBI:225685) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1S,2S,5R,6S)-2-[[(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]-6-[(E)-3-[[(3aS,6R,7S,7aS)-7-[(E)-2-carboxy-3-hydroxyprop-1-enyl]-1-oxo-6-propan-2-yl-3,4,5,6,7,7a-hexahydro-2-benzouran-3a-yl]oxy]-2-(hydroxymethyl)-3-oxoprop-1-enyl]-2-hydroxy-5-propan-2-ylcyclohexane-1-carboxylic acid
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