CHEBI:66784 - Protoxylocarpin E

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ChEBI Name Protoxylocarpin E
ChEBI ID CHEBI:66784
Definition A natural product found in Xylocarpus granatum.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C35H52O9
Net Charge 0
Average Mass 616.78200
Monoisotopic Mass 616.36113
InChI InChI=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
InChIKey VLHOBEFYZZUNTQ-CHMNAIGGSA-N
SMILES [H][C@@]1(C[C@]([H])([C@H](OC)O1)[C@]1([H])CC=C2[C@@]1(C)C[C@@H](OC(C)=O)[C@@]1([H])[C@@]2(C)[C@@H](C[C@@]2([H])C(C)(C)C(=O)C=C[C@]12C)OC(C)=O)[C@@H](O)C(C)(C)O
Metabolite of Species Details
Xylocarpus granatum (NCBI:txid241841) Found in rind (BTO:0001184). Dried fruit rinds See: DOI
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Protoxylocarpin E (CHEBI:66784) has role metabolite (CHEBI:25212)
Protoxylocarpin E (CHEBI:66784) is a limonoid (CHEBI:39434)
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:bile acid(CHEBI:3098); ISA:steroid ester(CHEBI:47880); ISA:3-oxo steroid(CHEBI:47788); ISA:3-oxo Delta(1)-steroid(CHEBI:20156); ISA:hydroxy steroid(CHEBI:35350); ISA:steroid(CHEBI:35341); ISA:monosaccharide(CHEBI:35381); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:oxolanes(CHEBI:26912); ISA:tertiary alcohol(CHEBI:26878); ISA:cyclic ketone(CHEBI:3992); ISA:secondary alcohol(CHEBI:35681); ISA:carboxylic ester(CHEBI:33308); ISA:polyol(CHEBI:26191); ISA:acetal(CHEBI:59769); ISA:organonitrogen compound(CHEBI:35352);