ginsenoside Mx (CHEBI:77490)

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CHEBI:77490 - ginsenoside Mx

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ChEBI ID	CHEBI:77490
ChEBI Name	ginsenoside Mx
Stars
Definition	A ginsenoside found in Panax ginseng that is dammarane which is substituted by hydroxy groups at the 3β, 12β and 20 pro-S positions and in which the hydroxy group at position 20 has been converted to the corresponding β-D-xylopyranosyl-β-D-glucopyranoside.
Last Modified	5 November 2019
Submitter	KAX
Downloads	Molfile

Formula	C41H70O12
Net Charge	0
Average Mass	754.999
Monoisotopic Mass	754.48673
SMILES	[H][C@]12C[C@@H](O)[C@]3([H])[C@@]([H])([C@](C)(CCC=C(C)C)O[C@@H]4O[C@H](CO[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C
InChI	InChI=1S/C41H70O12/c1-21(2)10-9-14-41(8,53-36-34(49)32(47)31(46)25(52-36)20-51-35-33(48)30(45)24(43)19-50-35)22-11-16-40(7)29(22)23(42)18-27-38(5)15-13-28(44)37(3,4)26(38)12-17-39(27,40)6/h10,22-36,42-49H,9,11-20H2,1-8H3/t22-,23+,24+,25+,26-,27+,28-,29-,30-,31+,32-,33+,34+,35-,36-,38-,39+,40+,41-/m0/s1
InChIKey	YNBYFOIDLBTOMW-IPTBNLQOSA-N

Roles Classification

Biological Roles:	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology

Outgoing Relation(s)
	ginsenoside Mx (CHEBI:77490) has functional parent (20S)-protopanaxadiol (CHEBI:75950)
	ginsenoside Mx (CHEBI:77490) has parent hydride dammarane (CHEBI:36488)
	ginsenoside Mx (CHEBI:77490) has role antineoplastic agent (CHEBI:35610)
	ginsenoside Mx (CHEBI:77490) has role plant metabolite (CHEBI:76924)
	ginsenoside Mx (CHEBI:77490) is a 3β-hydroxy-4,4-dimethylsteroid (CHEBI:143563)
	ginsenoside Mx (CHEBI:77490) is a disaccharide derivative (CHEBI:63353)
	ginsenoside Mx (CHEBI:77490) is a ginsenoside (CHEBI:74978)
	ginsenoside Mx (CHEBI:77490) is a tetracyclic triterpenoid (CHEBI:26893)
	ginsenoside Mx (CHEBI:77490) is a β-D-glucoside (CHEBI:22798)

IUPAC Name
(3β,12β)-3,12-dihydroxydammar-24-en-20-yl 6-O-β-D-xylopyranosyl-β-D-glucopyranoside

UniProt Name	Source
ginsenoside Mx	UniProt

Manual Xrefs	Databases
CPD-15456	MetaCyc
WO2004054590	Patent

Registry Numbers	Sources
Reaxys:10143427	Reaxys