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picrocrocin

MNXM20950 is deprecated and here replaced by MNXM732443
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM732443 Image of MNXM732443
referencechebi:53168
formulaC16H26O7
global charge0
mol weight330.377
InChIKeyWMHJCSAICLADIN-WYWSWGBSSA-N
InChIInChI=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
SMILESCC1=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
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM732443
SMILES (mnx)[CH3:1][C:8]1=[C:10]([CH:6]=[O:17])[C:16]([CH3:2])([CH3:3])[CH2:5][C@H:9]([O:22][C@H:15]2[C@H:14]([OH:21])[C@@H:13]([OH:20])[C@H:12]([OH:19])[C@@H:11]([CH2:7][OH:18])[O:23]2)[CH2:4]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:53168
chebi:53168
WMHJCSAICLADIN-WYWSWGBSSA-N 		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
WMHJCSAICLADIN-WYWSWGBSSA-N 		Picrocrocin
hmdb:HMDB0005796
WMHJCSAICLADIN-WYWSWGBSSA-N 		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
WMHJCSAICLADIN-WYWSWGBSSA-N 		Picrocrocin
picrocrocin

metacyc.compound:CPD-8668
metacycM:CPD-8668
WMHJCSAICLADIN-WYWSWGBSSA-N 		picrocrocin

hmdb:HMDB05796
keggC:M_C17055
seedM:M_cpd17315 		secondary/obsolete/fantasy identifier