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steviol

MNXM82766 is deprecated and here replaced by MNXM740647
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM740647

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

formula

C₂₀H₂₉O₃

charge

-1

mass

317.21222

reference

chebi:145011

InChIKey

QFVOYBUQQBFCRH-VQSWZGCSSA-M

InChI

InChI=1S/C20H30O3/c1-13-11-19-9-5-14-17(2,7-4-8-18(14,3)16(21)22)15(19)6-10-20(13,23)12-19/h14-15,23H,1,4-12H2,2-3H3,(H,21,22)/p-1/t14-,15-,17+,18+,19+,20-/m0/s1

SMILES

C=C1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)[O-])[C@@H]2CC[C@]1(O)C3

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:145011 chebi:145011	steviol 13alpha-hydroxy-5beta,8alpha,9beta,10alpha-kaur-16-en-18-oate steviol(1-)
seed.compound:cpd21445 seedM:cpd21445 kegg.compound:C20212 keggC:C20212	Steviol
lipidmaps:LMPR01040120 lipidmapsM:LMPR01040120	Steviol Kaur-16-en-18-oic acid
CHEBI:145024 chebi:145024	steviol (-)-steviol (14-alpha)-13-hydroxykaur-16-en-18-oic acid 13alpha-hydroxy-5beta,8alpha,9beta,10alpha-kaur-16-en-18-oic acid hydroxydehydrostevic acid
metacyc.compound:CPD-14501 metacycM:CPD-14501	steviol (14alpha)-13-hydroxykaur-16-en-18-oic-acid hydroxydehydrostevic acid kaur-16-en-18-oic acid
keggC:M_C20212 seedM:M_cpd21445	secondary/obsolete/fantasy identifier