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Gibberellin A97

MNXM92327 is deprecated and here replaced by MNXM741468
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM741468 Image of MNXM741468
referencechebi:175681
formulaC20H26O6
global charge-2
mol weight362.422
InChIKeyDBFXNHHIIKEXPP-JOJUGDBLSA-L
InChIInChI=1S/C20H28O6/c1-10-6-19-9-20(10,26)5-4-12(19)17(2)7-11(21)8-18(3,16(24)25)14(17)13(19)15(22)23/h11-14,21,26H,1,4-9H2,2-3H3,(H,22,23)(H,24,25)/p-2/t11-,12-,13+,14-,17-,18+,19-,20-/m0/s1
SMILESC=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]1(C)C[C@H](O)C[C@@](C)(C(=O)[O-])[C@H]1[C@@H]3C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C20H28O6/c1-10-6-19-9-20(10,26)5-4-12(19)17(2)7-11(21)8-18(3,16(24)25)14(17)13(19)15(22)23/h11-14,21,26H,1,4-9H2,2-3H3,(H,22,23)(H,24,25)/t11-,12-,13+,14-,17-,18+,19-,20-/m0/s1 Image of MNXM741468
SMILES (mnx)[CH2:1]=[C:10]1[CH2:6][C@:19]23[CH2:9][C@@:20]1([OH:26])[CH2:5][CH2:4][C@H:12]2[C@:17]1([CH3:2])[CH2:7][C@H:11]([OH:21])[CH2:8][C@@:18]([CH3:3])([C:16](=[O:24])[OH:25])[C@H:14]1[C@@H:13]3[C:15](=[O:22])[OH:23]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:175681
chebi:175681
DBFXNHHIIKEXPP-JOJUGDBLSA-L 		Gibberellin A97
(1S,2S,3S,4R,6S,8S,9S,12S)-6,12-dihydroxy-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylate

seed.compound:cpd24539
seedM:cpd24539
DBFXNHHIIKEXPP-JOJUGDBLSA-L 		GA97
gibberellin A97
hmdb:HMDB0041496
DBFXNHHIIKEXPP-JOJUGDBLSA-N 		Gibberellin A97
(1S,2S,3S,4R,6S,8S,9S,12S)-6,12-dihydroxy-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.0^{1,9}.0^{3,8}]pentadecane-2,4-dicarboxylic acid
(1alpha,3beta,4Aalpha,4bbeta,10beta)-3,7-dihydroxy-1,4a-dimethyl-8-methylenegibbane-1,10-dicarboxylic acid
(1alpha,3beta,4aalpha,4bbeta,10beta)-3,7-dihydroxy-1,4a-dimethyl-8-methylenegibbane-1,10-dicarboxylic acid
GA97

metacyc.compound:CPD-477
metacycM:CPD-477
DBFXNHHIIKEXPP-JOJUGDBLSA-L 		gibberellin A97
GA97

hmdb:HMDB41496
seedM:M_cpd24539 		secondary/obsolete/fantasy identifier