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ginsenoside Mc

MNXM148261 is deprecated and here replaced by MNXM1101965
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1101965 Image of MNXM1101965
referencechebi:77491
formulaC41H70O12
global charge0
mol weight754.999
InChIKeyCJFGBCWGOQRURQ-JFJIKBJRSA-N
InChIInChI=1S/C41H70O12/c1-21(2)10-9-14-41(8,53-36-34(49)32(47)31(46)25(52-36)20-50-35-33(48)30(45)24(19-42)51-35)22-11-16-40(7)29(22)23(43)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
SMILESCC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C
MNX internals
InChI (mnx)InChI=1/C41H70O12/c1-21(2)10-9-14-41(8,53-36-34(49)32(47)31(46)25(52-36)20-50-35-33(48)30(45)24(19-42)51-35)22-11-16-40(7)29(22)23(43)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 Image of MNXM1101965
SMILES (mnx)[CH3:1][C:21]([CH3:2])=[CH:10][CH2:9][CH2:14][C@@:41]([CH3:8])([C@H:22]1[CH2:11][CH2:16][C@:40]2([CH3:7])[C@@H:29]1[C@H:23]([OH:43])[CH2:18][C@@H:27]1[C@@:38]3([CH3:5])[CH2:15][CH2:13][C@H:28]([OH:44])[C:37]([CH3:3])([CH3:4])[C@@H:26]3[CH2:12][CH2:17][C@:39]12[CH3:6])[O:53][C@H:36]1[C@H:34]([OH:49])[C@@H:32]([OH:47])[C@H:31]([OH:46])[C@@H:25]([CH2:20][O:50][C@H:35]2[C@H:33]([OH:48])[C@@H:30]([OH:45])[C@H:24]([CH2:19][OH:42])[O:51]2)[O:52]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:77491
chebi:77491
CJFGBCWGOQRURQ-JFJIKBJRSA-N 		ginsenoside Mc
(3beta,12beta)-3,12-dihydroxydammar-24-en-20-yl 6-O-alpha-L-arabinofuranosyl-beta-D-glucopyranoside
hmdb:HMDB0062593
CJFGBCWGOQRURQ-JFJIKBJRSA-N 		Ginsenoside Mc
(2S,3R,4S,5S,6R)-2-{[(2S)-2-[(1R,2R,5S,7R,10R,11R,14S,15R,16R)-5,16-dihydroxy-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-6-methylhept-5-en-2-yl]oxy}-6-({[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxane-3,4,5-triol

seed.compound:cpd32048
seedM:cpd32048
CJFGBCWGOQRURQ-NMUMGEHWSA-N 		ginsenoside C-Mc
ginsenoside Mc

metacyc.compound:CPD-15454
metacycM:CPD-15454
CJFGBCWGOQRURQ-JFJIKBJRSA-N 		ginsenoside Mc
20-[alpha-L-arabinofuranosyl-(1->6)-beta-D-glucopyranosyloxy]dammar-24-ene-3beta,12-diol
ginsenoside C-Mc

hmdb:HMDB62593
seedM:M_cpd32048 		secondary/obsolete/fantasy identifier