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picrocrocin

MNXM20950 is deprecated and here replaced by MNXM732443
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM732443

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

formula

C₁₆H₂₆O₇

charge

mass

330.16785

reference

InChIKey

WMHJCSAICLADIN-WYWSWGBSSA-N

InChI

InChI=1S/C16H26O7/c1-8-4-9(5-16(2,3)10(8)6-17)22-15-14(21)13(20)12(19)11(7-18)23-15/h6,9,11-15,18-21H,4-5,7H2,1-3H3/t9-,11-,12-,13+,14-,15-/m1/s1

SMILES

CC1=C(C=O)C(C)(C)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:53168 chebi:53168	picrocrocin (1R)-4-formyl-3,5,5-trimethylcyclohex-3-en-1-yl beta-D-glucopyranoside (R)-4-(beta-D-Glucopyranosyloxy)-2,6,6-trimethyl-1-cyclohexene-1-carboxaldehyde
kegg.compound:C17055 keggC:C17055	Picrocrocin
hmdb:HMDB0005796	Picrocrocin (4R)-2,6,6-trimethyl-4-{[(2R,4S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohex-1-ene-1-carbaldehyde
seed.compound:cpd17315 seedM:cpd17315	Picrocrocin picrocrocin
metacyc.compound:CPD-8668 metacycM:CPD-8668	picrocrocin
hmdb:HMDB05796 keggC:M_C17055 seedM:M_cpd17315	secondary/obsolete/fantasy identifier