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CHEBI:66780 - Protoxylocarpin A

ChEBI IDCHEBI:66780
ChEBI NameProtoxylocarpin A
Stars
DefinitionA natural product found in Xylocarpus granatum.
Last Modified22 September 2014
DownloadsMolfile
FormulaC32H50O6
Net Charge0
Average Mass530.746
Monoisotopic Mass530.36074
SMILES[H][C@@]1([C@]2([H])C[C@]([H])([C@@H](O)C(C)(C)O)O[C@H]2OCC)CC=C2[C@@]1(C)CC[C@]1([H])[C@@]3(C)C=CC(=O)C(C)(C)[C@]3([H])C[C@@H](O)[C@@]21C
InChIInChI=1S/C32H50O6/c1-9-37-27-18(16-20(38-27)26(35)29(4,5)36)19-10-11-21-30(19,6)14-12-22-31(7)15-13-24(33)28(2,3)23(31)17-25(34)32(21,22)8/h11,13,15,18-20,22-23,25-27,34-36H,9-10,12,14,16-17H2,1-8H3/t18-,19-,20+,22+,23-,25+,26+,27+,30-,31+,32-/m0/s1
InChIKeySXUJYCUCLFTRKW-CPFPZXGTSA-N
Species of MetaboliteComponentSourceComments
Xylocarpus granatum (ncbitaxon:241841) rind (BTO:0001184) DOI (10.1002/hlca.200800177) Dried fruit rinds
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Protoxylocarpin A (CHEBI:66780) has role metabolite (CHEBI:25212)
Protoxylocarpin A (CHEBI:66780) is a limonoid (CHEBI:39434)
Synonym  Source
(5R,7R,8R,9R,10R,13S,17S)-17-((2R,3S,5R)-5-((1R)-1,2-dihydroxy-2-methylpropyl)-2-ethoxytetrahydrofuran-3-yl)-4,5,6,7,8,9,10,11,12,13,16,17-dodecahydro-7-hydroxy-4,4,8,10,13-pentamethyl-3H-cyclopenta[a]phenanthren-3-oneChEBI