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CHEBI:66783 - Protoxylocarpin D

ChEBI IDCHEBI:66783
ChEBI NameProtoxylocarpin D
Stars
DefinitionA natural product found in Xylocarpus granatum.
Last Modified22 September 2014
DownloadsMolfile
FormulaC31H48O6
Net Charge0
Average Mass516.719
Monoisotopic Mass516.34509
SMILES[H][C@@]1([C@]2([H])C[C@]([H])([C@@H](O)C(C)(C)O)O[C@@H]2OC)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/C31H48O6/c1-27(2)22-16-24(33)31(7)20-10-9-18(17-15-19(37-26(17)36-8)25(34)28(3,4)35)29(20,5)13-11-21(31)30(22,6)14-12-23(27)32/h10,12,14,17-19,21-22,24-26,33-35H,9,11,13,15-16H2,1-8H3/t17-,18-,19+,21+,22-,24+,25+,26-,29-,30+,31-/m0/s1
InChIKeyXCCPYESNSWQOFT-REAAIDBESA-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 D (CHEBI:66783) has role metabolite (CHEBI:25212)
Protoxylocarpin D (CHEBI:66783) is a limonoid (CHEBI:39434)
Synonym  Source
(5R,7R,8R,9R,10R,13S,17S)-17-((2S,3S,5R)-5-((1R)-1,2-dihydroxy-2-methylpropyl)-2-methoxytetrahydrofuran-3-yl)-7-hydroxy-4,4,8,10,13-pentamethyl-4,5,6,7,8,9,10,11,12,13,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-oneChEBI