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Tomentosolic acid

PropertiesImage
MNX_IDMNXM144903 Image of MNXM144903
referencechebi:172013
formulaC30H46O3
global charge0
mol weight454.695
InChIKeyHKJOHXSLBNLQHF-UHFFFAOYSA-N
InChIInChI=1S/C30H46O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,21-24,31H,9-17H2,1-7H3,(H,32,33)
SMILESCC1=C(C)C2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C(=O)O)CC1
MNX internals
InChI (mnx)InChI=1/C30H46O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,21-24,31H,9-17H2,1-7H3,(H,32,33)/t21?,22?,23?,24?,27?,28?,29?,30? Image of MNXM144903
SMILES (mnx)[CH3:1][C:18]1=[C:19]([CH3:2])[CH:24]2[C:20]3=[CH:8][CH2:9][CH:22]4[C:27]5([CH3:5])[CH2:13][CH2:12][CH:23]([OH:31])[C:26]([CH3:3])([CH3:4])[CH:21]5[CH2:11][CH2:14][C:29]4([CH3:7])[C:28]3([CH3:6])[CH2:16][CH2:17][C:30]2([C:25](=[O:32])[OH:33])[CH2:15][CH2:10]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:172013
chebi:172013
HKJOHXSLBNLQHF-UHFFFAOYSA-N 		Tomentosolic acid
10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-4,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-3H-picene-4a-carboxylic acid
hmdb:HMDB0035808
HKJOHXSLBNLQHF-UHFFFAOYSA-N 		Tomentosolic acid
10-Hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a-carboxylate
10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a-carboxylic acid
10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-4,5,6,7,8,8a,10,11,12,12b,13,14b-dodecahydro-3H-picene-4a-carboxylic acid
19-Dehydroursolate
19-Dehydroursolic acid
Sanguisorbigenin
Tomentosolate

hmdb:HMDB35808 		secondary/obsolete/fantasy identifier