Search MNXref
 Feedback

16alpha, 17-epoxy gibberellin A12

MNXM9717 is deprecated and here replaced by MNXM741712
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM741712 Image of MNXM741712
referencemetacycM:CPD-12353
formulaC20H26O5
global charge-2
mol weight346.423
InChIKeyHURSLIFUDKOZCY-RBRRFQSQSA-L
InChIInChI=1S/C20H28O5/c1-17-6-3-7-18(2,16(23)24)14(17)13(15(21)22)19-8-11(4-5-12(17)19)20(9-19)10-25-20/h11-14H,3-10H2,1-2H3,(H,21,22)(H,23,24)/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)C1(CO1)C3
MNX internals
InChI (mnx)InChI=1/C20H28O5/c1-17-6-3-7-18(2,16(23)24)14(17)13(15(21)22)19-8-11(4-5-12(17)19)20(9-19)10-25-20/h11-14H,3-10H2,1-2H3,(H,21,22)(H,23,24)/t11-,12+,13-,14+,17+,18-,19-,20?/m1/s1 Image of MNXM741712
SMILES (mnx)[CH3:1][C@@:17]12[CH2:6][CH2:3][CH2:7][C@@:18]([CH3:2])([C:16](=[O:23])[OH:24])[C@H:14]1[C@H:13]([C:15](=[O:21])[OH:22])[C@@:19]13[CH2:8][C@@H:11]([CH2:4][CH2:5][C@@H:12]21)[C:20]1([CH2:9]3)[CH2:10][O:25]1
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-12353
metacycM:CPD-12353
HURSLIFUDKOZCY-RBRRFQSQSA-L 		16alpha, 17-epoxy gibberellin A12
16alpha, 17-epoxy GA12

seed.compound:cpd23368
seedM:cpd23368
HURSLIFUDKOZCY-RBRRFQSQSA-L 		16alpha, 17-epoxy GA12
16alpha, 17-epoxy gibberellin A12

seedM:M_cpd23368 		secondary/obsolete/fantasy identifier