Feedback

carnosate

MNXM103532 is deprecated and here replaced by MNXM726161
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM726161

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

formula

C₂₀H₂₇O₄

charge

-1

mass

331.19148

reference

InChIKey

QRYRORQUOLYVBU-VBKZILBWSA-M

InChI

InChI=1S/C20H28O4/c1-11(2)13-10-12-6-7-14-19(3,4)8-5-9-20(14,18(23)24)15(12)17(22)16(13)21/h10-11,14,21-22H,5-9H2,1-4H3,(H,23,24)/p-1/t14-,20+/m0/s1

SMILES

CC(C)c1cc2c(c(O)c1O)[C@@]1(C(=O)[O-])CCCC(C)(C)[C@@H]1CC2

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:138943 chebi:138943	carnosate 11,12-dihydroxy-13-isopropylpodocarpa-8,11,13-trien-17-oate 11,12-dihydroxyabieta-8,11,13-trien-20-oate
seed.compound:cpd34693 seedM:cpd34693	11,12-dihydroxyabieta-8,11,13-trien-20-oate Salvin carnosate carnosic acid
kegg.compound:C21818 keggC:C21818	Carnosic acid 11,12-Dihydroxyabieta-8,11,13-trien-20-oic acid Salvin
metacyc.compound:CPD-18103 metacycM:CPD-18103	carnosate 11,12-dihydroxyabieta-8,11,13-trien-20-oate Salvin carnosic acid
CHEBI:65585 chebi:65585	carnosic acid (4aR,10aS)-5,6-dihydroxy-1,1-dimethyl-7-(propan-2-yl)-1,3,4,9,10,10a-hexahydrophenanthrene-4a(2H)-carboxylic acid 11,12-dihydroxy-13-isopropylpodocarpa-8,11,13-trien-17-oic acid 11,12-dihydroxyabieta-8,11,13-trien-20-oic acid Salvin
keggC:M_C21818 seedM:M_cpd34693	secondary/obsolete/fantasy identifier