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acacic acid

Properties

Image

Occurences in reactions

MNX_ID

MNXM102326

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

formula

C₃₀H₄₈O₅

charge

mass

488.35017

reference

chebi:70803

InChIKey

CFKXWTNHIJAFNL-OOURDANISA-N

InChI

InChI=1S/C30H48O5/c1-25(2)14-18-17-8-9-20-27(5)12-11-21(31)26(3,4)19(27)10-13-28(20,6)29(17,7)15-23(33)30(18,24(34)35)16-22(25)32/h8,18-23,31-33H,9-16H2,1-7H3,(H,34,35)/t18-,19-,20+,21-,22-,23+,27-,28+,29+,30+/m0/s1

SMILES

CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@@]2(C(=O)O)C[C@@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:70803 chebi:70803	acacic acid (3beta,16alpha,21beta)-3,16,21-trihydroxyolean-12-en-28-oic acid
lipidmaps:LMPR0106150022 lipidmapsM:LMPR0106150022	Acacic acid 3beta,16alpha,21beta-trihydroxyolean-12-en-28-oic acid
hmdb:HMDB0034036	Pitheduloside I 3,5,10-Trihydroxy-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-carboxylate 3,5,10-trihydroxy-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-carboxylic acid 3,5,10-trihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid
CHEBI:168196 chebi:168196	Pitheduloside I 3,5,10-trihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
hmdb:HMDB34036	secondary/obsolete/fantasy identifier