CHEBI:66781 - Protoxylocarpin B

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ChEBI Name Protoxylocarpin B
ChEBI ID CHEBI:66781
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 C32H50O6
Net Charge 0
Average Mass 530.73580
Monoisotopic Mass 530.36074
InChI InChI=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
InChIKey SXUJYCUCLFTRKW-QCQONPKFSA-N
SMILES [H][C@@]1(C[C@]([H])([C@@H](OCC)O1)[C@]1([H])CC=C2[C@@]1(C)CC[C@@]1([H])[C@@]2(C)[C@H](O)C[C@@]2([H])C(C)(C)C(=O)C=C[C@]12C)[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 B (CHEBI:66781) has role metabolite (CHEBI:25212)
Protoxylocarpin B (CHEBI:66781) 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-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-one ChEBI
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:cholanoid(CHEBI:36078); ISA:3-oxo steroid(CHEBI:47788); ISA:3-oxo Delta(1)-steroid(CHEBI:20156); ISA:7-hydroxy steroid(CHEBI:36844); 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:polyol(CHEBI:26191); ISA:organic hydroxy compound(CHEBI:33822); ISA:secondary alcohol(CHEBI:35681); ISA:acetal(CHEBI:59769);