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CHEBI:188629 - aphagranol A

ChEBI IDCHEBI:188629
ChEBI Nameaphagranol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H40O11
Net Charge0
Average Mass600.661
Monoisotopic Mass600.25706
SMILES[H][C@@]12C(=O)C[C@]3([H])O[C@@]4([H])[C@H](OC(=O)[C@H](O)[C@H](C)CC)[C@@]5(C)[C@H](c6ccoc6)CC(=O)[C@]5(O)C(=C)[C@@]4([H])[C@]3(C)[C@]1([H])[C@@](C)(CO)OC2=O
InChIInChI=1S/C32H40O11/c1-7-14(2)23(36)28(38)42-26-24-22(15(3)32(39)19(35)10-17(31(26,32)6)16-8-9-40-12-16)30(5)20(41-24)11-18(34)21-25(30)29(4,13-33)43-27(21)37/h8-9,12,14,17,20-26,33,36,39H,3,7,10-11,13H2,1-2,4-6H3/t14-,17+,20+,21-,22-,23-,24-,25+,26+,29-,30-,31-,32-/m1/s1
InChIKeyPBAPKLJHNDYSMT-FWNGPFSFSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
ChEBI Ontology
Outgoing Relation(s)
aphagranol A (CHEBI:188629) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
[(1R,2R,3R,4S,7S,10S,12R,13R,14R,15S,18S)-15-(uran-3-yl)-18-hydroxy-4-(hydroxymethyl)-2,4,14-trimethyl-19-methylidene-6,8,17-trioxo-5,11-dioxapentacyclo[10.7.0.02,10.03,7.014,18]nonadecan-13-yl] (2R,3R)-2-hydroxy-3-methylpentanoate
Manual XrefsDatabases
30829984ChemSpider