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Melilotigenin

PropertiesImage
MNX_IDMNXM127761 Image of MNXM127761
referencechebi:190352
formulaC30H46O5
global charge0
mol weight486.693
InChIKeyMVTZJCYINFKILV-UHFFFAOYSA-N
InChIInChI=1S/C30H46O5/c1-25(24(34)35)15-19-18-7-8-21-27(3)11-10-22(32)28(4,17-31)20(27)9-12-30(21,6)29(18,5)14-13-26(19,2)23(33)16-25/h7,19-22,31-32H,8-17H2,1-6H3,(H,34,35)
SMILESCC1(C(=O)O)CC(=O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1
MNX internals
InChI (mnx)InChI=1/C30H46O5/c1-25(24(34)35)15-19-18-7-8-21-27(3)11-10-22(32)28(4,17-31)20(27)9-12-30(21,6)29(18,5)14-13-26(19,2)23(33)16-25/h7,19-22,31-32H,8-17H2,1-6H3,(H,34,35)/t19?,20?,21?,22?,25?,26?,27?,28?,29?,30? Image of MNXM127761
SMILES (mnx)[CH3:1][C:25]1([C:24](=[O:34])[OH:35])[CH2:15][CH:19]2[C:18]3=[CH:7][CH2:8][CH:21]4[C:27]5([CH3:3])[CH2:11][CH2:10][CH:22]([OH:32])[C:28]([CH3:4])([CH2:17][OH:31])[CH:20]5[CH2:9][CH2:12][C:30]4([CH3:6])[C:29]3([CH3:5])[CH2:14][CH2:13][C:26]2([CH3:2])[C:23](=[O:33])[CH2:16]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:190352
chebi:190352
MVTZJCYINFKILV-UHFFFAOYSA-N 		Melilotigenin
10-hydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-4-oxo-3,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-1H-picene-2-carboxylic acid
hmdb:HMDB0038737
MVTZJCYINFKILV-UHFFFAOYSA-N 		Melilotigenin
10-Hydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-4-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylate
10-hydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-4-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acid
10-hydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-4-oxo-3,5,6,7,8,8a,10,11,12,12b,13,14b-dodecahydro-1H-picene-2-carboxylic acid
Yunganogenin K

hmdb:HMDB38737 		secondary/obsolete/fantasy identifier