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oleanolic aldehyde

Properties

Image

Occurences in reactions

MNX_ID

MNXM1380084

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

formula

C₃₀H₄₈O₂

charge

mass

440.712

reference

chebi:82827

InChIKey

STHRNDDZYFUIDO-OSQDELBUSA-N

InChI

InChI=1S/C30H48O2/c1-25(2)14-16-30(19-31)17-15-28(6)20(21(30)18-25)8-9-23-27(5)12-11-24(32)26(3,4)22(27)10-13-29(23,28)7/h8,19,21-24,32H,9-18H2,1-7H3/t21-,22-,23+,24-,27-,28+,29+,30+/m0/s1

SMILES

[CH3:1][C:25]1([CH3:2])[CH2:14][CH2:16][C@:30]2([CH:19]=[O:31])[CH2:17][CH2:15][C@:28]3([CH3:6])[C:20](=[CH:8][CH2:9][C@@H:23]4[C@@:27]5([CH3:5])[CH2:12][CH2:11][C@H:24]([OH:32])[C:26]([CH3:3])([CH3:4])[C@@H:22]5[CH2:10][CH2:13][C@:29]43[CH3:7])[C@@H:21]2[CH2:18]1

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Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:82827 chebi:82827	oleanolic aldehyde (3beta)-3-hydroxyolean-12-en-28-al 3beta-hydroxyolean-12-en-28-al
kegg.compound:C20946 keggC:C20946	Oleanolic aldehyde
hmdb:HMDB0034511	Oleanolic aldehyde 10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carbaldehyde 10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carbaldehyde 3b-Hydroxy-12-oleanen-28-al
hmdb:HMDB34511 keggC:M_C20946	secondary/obsolete/fantasy identifier