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Gibberellin A79

PropertiesImage
MNX_IDMNXM126034 Image of MNXM126034
referencehmdb:HMDB0039623
formulaC19H24O7
global charge0
mol weight364.394
InChIKeyPVXFGQIIGNNJHW-RDANHYDNSA-N
InChIInChI=1S/C19H24O7/c1-7-5-18-6-8(7)3-4-9(18)19-12(10(18)15(23)24)17(2,16(25)26-19)13(21)11(20)14(19)22/h8-14,20-22H,1,3-6H2,2H3,(H,23,24)/t8-,9-,10-,11-,12-,13+,14-,17+,18+,19?/m1/s1
SMILESC=C1C[C@]23C[C@H]1CC[C@H]2C12OC(=O)[C@](C)([C@@H](O)[C@@H](O)[C@H]1O)[C@H]2[C@@H]3C(=O)O
MNX internals
InChI (mnx)InChI=1/C19H24O7/c1-7-5-18-6-8(7)3-4-9(18)19-12(10(18)15(23)24)17(2,16(25)26-19)13(21)11(20)14(19)22/h8-14,20-22H,1,3-6H2,2H3,(H,23,24)/t8-,9-,10-,11-,12-,13+,14-,17+,18+,19?/m1/s1 Image of MNXM126034
SMILES (mnx)[CH2:1]=[C:7]1[CH2:5][C@:18]23[CH2:6][C@H:8]1[CH2:3][CH2:4][C@H:9]2[C:19]12[C@H:12]([C@@H:10]3[C:15](=[O:23])[OH:24])[C@@:17]([CH3:2])([C@@H:13]([OH:21])[C@@H:11]([OH:20])[C@H:14]1[OH:22])[C:16](=[O:25])[O:26]2
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
hmdb:HMDB0039623
PVXFGQIIGNNJHW-RDANHYDNSA-N
Gibberellin A79
(1R,2R,5R,8R,9S,10R,11S,12R,13R,14R)-12,13,14-Trihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1,.0,.0,]heptadecane-9-carboxylate
(1R,2R,5R,8R,9S,10R,11S,12R,13R,14R)-12,13,14-trihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1^{5,8}.0^{1,10}.0^{2,8}]heptadecane-9-carboxylic acid
GA79

CHEBI:175665
chebi:175665
PVXFGQIIGNNJHW-UHFFFAOYSA-N
Gibberellin A79
12,13,14-trihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid

hmdb:HMDB39623
secondary/obsolete/fantasy identifier