CHEBI:70525 - Meliasenin Q

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ChEBI Name Meliasenin Q
ChEBI ID CHEBI:70525
Definition A natural product found in Melia toosendan.
Stars This entity has been manually annotated by a third party.
Supplier Information ChemicalBook:CB0675060, eMolecules:707688, ZINC000019735340
Download Molfile XML SDF
Formula C47H82O6
Net Charge 0
Average Mass 743.15040
Monoisotopic Mass 742.61114
InChI InChI=1S/C47H82O6/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-40(48)53-39-28-29-45(6)35-27-31-46(7)34(33-32-37(52-42(33)51-9)41(49)44(4,5)50)26-30-47(46,8)36(35)24-25-38(45)43(39,2)3/h24,33-35,37-39,41-42,49-50H,10-23,25-32H2,1-9H3/t33-,34-,35-,37+,38-,39-,41-,42-,45+,46-,47+/m0/s1
InChIKey MPBJLXGRNXJCFS-YNQRKBCVSA-N
SMILES [H][C@@]1(C[C@]([H])([C@@H](OC)O1)[C@]1([H])CC[C@]2(C)C3=CC[C@@]4([H])C(C)(C)[C@H](CC[C@]4(C)[C@@]3([H])CC[C@@]12C)OC(=O)CCCCCCCCCCCCCCC)[C@H](O)C(C)(C)O
Metabolite of Species Details
Melia toosendan (NCBI:txid71608) Found in fruit (BTO:0000486). 95% ethanolic extract of dried fruits See: PubMed
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 Meliasenin Q (CHEBI:70525) has role metabolite (CHEBI:25212)
Meliasenin Q (CHEBI:70525) is a triterpenoid (CHEBI:36615)
Citation
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:bile acid(CHEBI:3098); ISA:steroid ester(CHEBI:47880); ISA:hydroxy steroid(CHEBI:35350); ISA:steroid(CHEBI:35341); ISA:monosaccharide(CHEBI:35381); ISA:oxolanes(CHEBI:26912); ISA:tertiary alcohol(CHEBI:26878); ISA:secondary alcohol(CHEBI:35681); ISA:carboxylic ester(CHEBI:33308); ISA:polyol(CHEBI:26191); ISA:organonitrogen compound(CHEBI:35352); ISA:acetal(CHEBI:59769); ISA:monocarboxylic acid(CHEBI:25384); ISA:carbonyl compound(CHEBI:36586);