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gibberellin A14 aldehyde

PropertiesImage
MNX_IDMNXM5767 Image of MNXM5767
referencechebi:143960
formulaC20H27O4
global charge-1
mol weight331.432
InChIKeyYMDYUWHAQBYOMU-HYAYUQHRSA-M
InChIInChI=1S/C20H28O4/c1-11-8-20-9-12(11)4-5-14(20)18(2)7-6-15(22)19(3,17(23)24)16(18)13(20)10-21/h10,12-16,22H,1,4-9H2,2-3H3,(H,23,24)/p-1/t12-,13+,14+,15+,16+,18+,19-,20-/m1/s1
SMILESC=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CC[C@H](O)[C@@](C)(C(=O)[O-])[C@H]1[C@@H]3C=O
MNX internals
InChI (mnx)InChI=1/C20H28O4/c1-11-8-20-9-12(11)4-5-14(20)18(2)7-6-15(22)19(3,17(23)24)16(18)13(20)10-21/h10,12-16,22H,1,4-9H2,2-3H3,(H,23,24)/t12-,13+,14+,15+,16+,18+,19-,20-/m1/s1 Image of MNXM5767
SMILES (mnx)[CH2:1]=[C:11]1[CH2:8][C@:20]23[CH2:9][C@H:12]1[CH2:4][CH2:5][C@H:14]2[C@:18]1([CH3:2])[CH2:7][CH2:6][C@H:15]([OH:22])[C@@:19]([CH3:3])([C:17](=[O:23])[OH:24])[C@H:16]1[C@@H:13]3[CH:10]=[O:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)11
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:143960
chebi:143960
YMDYUWHAQBYOMU-HYAYUQHRSA-M 		gibberellin A14 aldehyde
gibberellin A14 aldehyde(1-)

kegg.compound:C11853
keggC:C11853
lipidmaps:LMPR0104170010
lipidmapsM:LMPR0104170010
YMDYUWHAQBYOMU-HYAYUQHRSA-N 		Gibberellin A14 aldehyde

seed.compound:cpd08651
seedM:cpd08651
YMDYUWHAQBYOMU-HYAYUQHRSA-M 		Gibberellin A14 aldehyde
GA14-aldehyde
gibberellin A14-aldehyde

CHEBI:29589
chebi:29589
YMDYUWHAQBYOMU-HYAYUQHRSA-N 		gibberellin A14 aldehyde
(1R,2S,3S,4S,5S,8S,9S,12R)-2-formyl-5-hydroxy-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.0(1,9).0(3,8)]pentadecane-4-carboxylic acid
10beta-formyl-2beta-hydroxy-1beta,4a-dimethyl-8-methylidene-4aalpha,4bbeta-gibbane-1alpha-carboxylic acid
Gibberellin A14 aldehyde

metacyc.compound:CPD-6227
metacycM:CPD-6227
YMDYUWHAQBYOMU-HYAYUQHRSA-M 		gibberellin A14-aldehyde
GA14-aldehyde

keggC:M_C11853
seedM:M_cpd08651 		secondary/obsolete/fantasy identifier