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gibberellin A51-catabolite

PropertiesImage
MNX_IDMNXM8626 Image of MNXM8626
referencechebi:29600
formulaC19H22O5
global charge0
mol weight330.38
InChIKeyJBJGOHHQQSPYTO-BLMVKCSQSA-N
InChIInChI=1S/C19H22O5/c1-9-6-19-7-10(9)3-4-13(19)12-5-11(20)8-18(2,17(23)24)14(12)15(19)16(21)22/h5,10,13-15H,1,3-4,6-8H2,2H3,(H,21,22)(H,23,24)/t10-,13+,14-,15-,18-,19+/m1/s1
SMILESC=C1C[C@]23C[C@H]1CC[C@H]2C1=CC(=O)C[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O
MNX internals
InChI (mnx)InChI=1/C19H22O5/c1-9-6-19-7-10(9)3-4-13(19)12-5-11(20)8-18(2,17(23)24)14(12)15(19)16(21)22/h5,10,13-15H,1,3-4,6-8H2,2H3,(H,21,22)(H,23,24)/t10-,13+,14-,15-,18-,19+/m1/s1 Image of MNXM8626
SMILES (mnx)[CH2:1]=[C:9]1[CH2:6][C@:19]23[CH2:7][C@H:10]1[CH2:3][CH2:4][C@H:13]2[C:12]1=[CH:5][C:11](=[O:20])[CH2:8][C@@:18]([CH3:2])([C:17](=[O:23])[OH:24])[C@H:14]1[C@@H:15]3[C:16](=[O:21])[OH:22]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:29600
chebi:29600
JBJGOHHQQSPYTO-BLMVKCSQSA-N 		gibberellin A51-catabolite
(1alpha,4bbeta,10beta)-1-methyl-8-methylidene-3-oxogibb-4-ene-1,10-dicarboxylic acid

CHEBI:191246
chebi:191246
JBJGOHHQQSPYTO-BLMVKCSQSA-L 		GA51-catabolite
(1R,2S,3S,4R,9R,12R)-4-methyl-13-methylidene-6-oxotetracyclo[10.2.1.01,9.03,8]pentadec-7-ene-2,4-dicarboxylate

kegg.compound:C11854
keggC:C11854
lipidmaps:LMPR0104170011
lipidmapsM:LMPR0104170011
JBJGOHHQQSPYTO-BLMVKCSQSA-N 		Gibberellin A51-catabolite

seed.compound:cpd08652
seedM:cpd08652
JBJGOHHQQSPYTO-BLMVKCSQSA-L 		Gibberellin A51-catabolite
GA51-catabolite
gibberellin A51-catabolite

metacyc.compound:CPD-498
metacycM:CPD-498
JBJGOHHQQSPYTO-BLMVKCSQSA-L 		gibberellin A51-catabolite
GA51-catabolite

keggC:M_C11854
seedM:M_cpd08652 		secondary/obsolete/fantasy identifier