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16,17-dihydro-16alpha,17-dihydroxy gibberellin A12

MNXM14012 is deprecated and here replaced by MNXM728297
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM728297 Image of MNXM728297
referencemetacycM:CPD-12360
formulaC20H28O6
global charge-2
mol weight364.438
InChIKeyBOUZNRKTKNKATH-UVFHUSQUSA-L
InChIInChI=1S/C20H30O6/c1-17-6-3-7-18(2,16(24)25)14(17)13(15(22)23)19-8-11(4-5-12(17)19)20(26,9-19)10-21/h11-14,21,26H,3-10H2,1-2H3,(H,22,23)(H,24,25)/p-2/t11-,12+,13-,14+,17+,18-,19-,20+/m1/s1
SMILESC[C@@]12CCC[C@@](C)(C(=O)[O-])[C@H]1[C@H](C(=O)[O-])[C@@]13C[C@@H](CC[C@@H]21)[C@@](O)(CO)C3
MNX internals
InChI (mnx)InChI=1/C20H30O6/c1-17-6-3-7-18(2,16(24)25)14(17)13(15(22)23)19-8-11(4-5-12(17)19)20(26,9-19)10-21/h11-14,21,26H,3-10H2,1-2H3,(H,22,23)(H,24,25)/t11-,12+,13-,14+,17+,18-,19-,20+/m1/s1 Image of MNXM728297
SMILES (mnx)[CH3:1][C@@:17]12[CH2:6][CH2:3][CH2:7][C@@:18]([CH3:2])([C:16](=[O:24])[OH:25])[C@H:14]1[C@H:13]([C:15](=[O:22])[OH:23])[C@@:19]13[CH2:8][C@@H:11]([CH2:4][CH2:5][C@@H:12]21)[C@:20]([CH2:10][OH:21])([OH:26])[CH2:9]3
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-12360
metacycM:CPD-12360
BOUZNRKTKNKATH-UVFHUSQUSA-L 		16,17-dihydro-16alpha,17-dihydroxy gibberellin A12
16, 17-dihydro-16alpha, 17-dihydroxy gibberellin A12
16alpha, 17-[OH]2 GA12
16alpha, 17-[OH]2 gibberellin A12

seed.compound:cpd23373
seedM:cpd23373
BOUZNRKTKNKATH-UVFHUSQUSA-L 		16, 17-dihydro-16alpha, 17-dihydroxy GA12
16, 17-dihydro-16alpha, 17-dihydroxy gibberellin A12
16,17-dihydro-16alpha,17-dihydroxy gibberellin A12
16alpha, 17-[OH]2 GA12
16alpha, 17-[OH]2 gibberellin A12

seedM:M_cpd23373 		secondary/obsolete/fantasy identifier