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16alpha,17-epoxy gibberellin A4

MNXM9718 is deprecated and here replaced by MNXM741716
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM741716 Image of MNXM741716
referencemetacycM:CPD-12351
formulaC19H23O6
global charge-1
mol weight347.387
InChIKeyOQDMPMCCAJSZHB-KJIHWFIGSA-M
InChIInChI=1S/C19H24O6/c1-16-11(20)4-5-19(25-15(16)23)10-3-2-9-6-17(10,7-18(9)8-24-18)12(13(16)19)14(21)22/h9-13,20H,2-8H2,1H3,(H,21,22)/p-1/t9-,10-,11+,12-,13-,16+,17-,18?,19-/m1/s1
SMILESC[C@]12C(=O)O[C@]3(CC[C@@H]1O)[C@@H]1CC[C@@H]4C[C@]1(CC41CO1)[C@@H](C(=O)[O-])[C@@H]32
MNX internals
InChI (mnx)InChI=1/C19H24O6/c1-16-11(20)4-5-19(25-15(16)23)10-3-2-9-6-17(10,7-18(9)8-24-18)12(13(16)19)14(21)22/h9-13,20H,2-8H2,1H3,(H,21,22)/t9-,10-,11+,12-,13-,16+,17-,18?,19-/m1/s1 Image of MNXM741716
SMILES (mnx)[CH3:1][C@:16]12[C@@H:11]([OH:20])[CH2:4][CH2:5][C@:19]3([C@@H:10]4[CH2:3][CH2:2][C@@H:9]5[CH2:6][C@:17]4([CH2:7][C:18]54[CH2:8][O:24]4)[C@@H:12]([C:14](=[O:21])[OH:22])[C@H:13]13)[O:25][C:15]2=[O:23]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-12351
metacycM:CPD-12351
OQDMPMCCAJSZHB-KJIHWFIGSA-M 		16alpha,17-epoxy gibberellin A4
16alpha,17-epoxy GA4

seed.compound:cpd23366
seedM:cpd23366
OQDMPMCCAJSZHB-KJIHWFIGSA-M 		16alpha, 17-epoxy GA4
16alpha, 17-epoxy gibberellin A4
16alpha,17-epoxy GA4
16alpha,17-epoxy gibberellin A4

seedM:M_cpd23366 		secondary/obsolete/fantasy identifier