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CHEBI:66784 - Protoxylocarpin E

ChEBI IDCHEBI:66784
ChEBI NameProtoxylocarpin E
Stars
DefinitionA natural product found in Xylocarpus granatum.
Last Modified22 September 2014
DownloadsMolfile
FormulaC35H52O9
Net Charge0
Average Mass616.792
Monoisotopic Mass616.36113
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)C[C@@H](OC(C)=O)[C@]1([H])[C@@]3(C)C=CC(=O)C(C)(C)[C@]3([H])C[C@@H](OC(C)=O)[C@@]21C
InChIInChI=1S/C35H52O9/c1-18(36)42-23-17-34(8)21(20-15-22(44-30(20)41-10)29(39)32(5,6)40)11-12-24(34)35(9)27(43-19(2)37)16-25-31(3,4)26(38)13-14-33(25,7)28(23)35/h12-14,20-23,25,27-30,39-40H,11,15-17H2,1-10H3/t20-,21-,22+,23+,25-,27+,28+,29+,30+,33-,34-,35+/m0/s1
InChIKeyVLHOBEFYZZUNTQ-CHMNAIGGSA-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 E (CHEBI:66784) has role metabolite (CHEBI:25212)
Protoxylocarpin E (CHEBI:66784) is a limonoid (CHEBI:39434)