CHEBI:66783 - Protoxylocarpin D

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ChEBI Name Protoxylocarpin D
ChEBI ID CHEBI:66783
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 C31H48O6
Net Charge 0
Average Mass 516.70920
Monoisotopic Mass 516.34509
InChI InChI=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
InChIKey XCCPYESNSWQOFT-REAAIDBESA-N
SMILES [H][C@@]1(C[C@]([H])([C@@H](OC)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 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-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);