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Genipin

PropertiesImage
MNX_IDMNXM54850 Image of MNXM54850
referencechebi:5298
formulaC11H14O5
global charge0
mol weight226.228
InChIKeyAZKVWQKMDGGDSV-BCMRRPTOSA-N
InChIInChI=1S/C11H14O5/c1-15-10(13)8-5-16-11(14)9-6(4-12)2-3-7(8)9/h2,5,7,9,11-12,14H,3-4H2,1H3/t7-,9-,11-/m1/s1
SMILESCOC(=O)C1=CO[C@@H](O)[C@@H]2C(CO)=CC[C@H]12
MNX internals
InChI (mnx)InChI=1/C11H14O5/c1-15-10(13)8-5-16-11(14)9-6(4-12)2-3-7(8)9/h2,5,7,9,11-12,14H,3-4H2,1H3/t7-,9-,11-/m1/s1 Image of MNXM54850
SMILES (mnx)[CH3:1][O:15][C:10]([C:8]1=[CH:5][O:16][C@@H:11]([OH:14])[C@@H:9]2[C:6]([CH2:4][OH:12])=[CH:2][CH2:3][C@H:7]12)=[O:13]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

seed.compound:cpd06672
seedM:cpd06672
CHEBI:5298
chebi:5298
kegg.compound:C09780
keggC:C09780
lipidmaps:LMPR0102070056
lipidmapsM:LMPR0102070056
AZKVWQKMDGGDSV-BCMRRPTOSA-N 		Genipin

CHEBI:94318
chebi:94318
AZKVWQKMDGGDSV-UHFFFAOYSA-N 		1-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester
hmdb:HMDB0035830
AZKVWQKMDGGDSV-UHFFFAOYSA-N 		Genipin
Methyl 1-hydroxy-7-(hydroxymethyl)-1H,4ah,5H,7ah-cyclopenta[c]pyran-4-carboxylic acid
methyl 1-hydroxy-7-(hydroxymethyl)-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylate

hmdb:HMDB35830
keggC:M_C09780
seedM:M_cpd06672 		secondary/obsolete/fantasy identifier