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gibberellin A46

MNXM17976 is deprecated and here replaced by MNXM1368702
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1368702 Image of MNXM1368702
referencemetacycM:CPD-6223
formulaC20H23O7
global charge-3
mol weight375.397
InChIKeyFDSHYIREUMEWEX-UZMKBTEQSA-K
InChIInChI=1S/C20H26O7/c1-9-5-19-6-10(9)3-4-12(19)20(17(26)27)8-11(21)7-18(2,16(24)25)14(20)13(19)15(22)23/h10-14,21H,1,3-8H2,2H3,(H,22,23)(H,24,25)(H,26,27)/p-3/t10-,11+,12+,13+,14+,18+,19-,20+/m0/s1
SMILESC=C1C[C@]23C[C@@H]1CC[C@H]2[C@]1(C(=O)[O-])C[C@H](O)C[C@@](C)(C(=O)[O-])[C@H]1[C@@H]3C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C20H26O7/c1-9-5-19-6-10(9)3-4-12(19)20(17(26)27)8-11(21)7-18(2,16(24)25)14(20)13(19)15(22)23/h10-14,21H,1,3-8H2,2H3,(H,22,23)(H,24,25)(H,26,27)/t10-,11+,12+,13+,14+,18+,19-,20+/m0/s1 Image of MNXM1368702
SMILES (mnx)[CH2:1]=[C:9]1[CH2:5][C@:19]23[CH2:6][C@@H:10]1[CH2:3][CH2:4][C@H:12]2[C@:20]1([C:17](=[O:26])[OH:27])[CH2:8][C@H:11]([OH:21])[CH2:7][C@@:18]([CH3:2])([C:16](=[O:24])[OH:25])[C@H:14]1[C@@H:13]3[C:15](=[O:22])[OH:23]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-6223
metacycM:CPD-6223
FDSHYIREUMEWEX-UZMKBTEQSA-K 		gibberellin A46
GA46