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gibberellin A98

MNXM17977 is deprecated and here replaced by MNXM731855
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM731855 Image of MNXM731855
referencechebi:133480
formulaC20H26O6
global charge0
mol weight362.422
InChIKeyMEKWLWHELUEYHS-VGGMDSHUSA-N
InChIInChI=1S/C20H26O6/c1-10-5-18-8-20(10,25)4-3-12(18)19-7-11(21)6-17(2,16(24)26-9-19)14(19)13(18)15(22)23/h11-14,21,25H,1,3-9H2,2H3,(H,22,23)/t11-,12-,13-,14-,17-,18+,19-,20+/m1/s1
SMILESC=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]12COC(=O)[C@](C)(C[C@@H](O)C1)[C@H]2[C@@H]3C(=O)O
MNX internals
InChI (mnx)InChI=1/C20H26O6/c1-10-5-18-8-20(10,25)4-3-12(18)19-7-11(21)6-17(2,16(24)26-9-19)14(19)13(18)15(22)23/h11-14,21,25H,1,3-9H2,2H3,(H,22,23)/t11-,12-,13-,14-,17-,18+,19-,20+/m1/s1 Image of MNXM731855
SMILES (mnx)[CH2:1]=[C:10]1[CH2:5][C@:18]23[CH2:8][C@@:20]1([OH:25])[CH2:4][CH2:3][C@H:12]2[C@:19]12[CH2:7][C@H:11]([OH:21])[CH2:6][C@:17]([CH3:2])([C@H:14]1[C@@H:13]3[C:15](=[O:22])[OH:23])[C:16](=[O:24])[O:26][CH2:9]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

CHEBI:133480
chebi:133480
MEKWLWHELUEYHS-VGGMDSHUSA-N 		gibberellin A98
(1R,3S,4aR,4bR,7S,9aS,10S,10aS)-3,7-dihydroxy-1-methyl-8-methylidene-14-oxododecahydro-7,9a-methano-1,4a-(methanooxymethano)benzo[a]azulene-10-carboxylic acid
GA98
hmdb:HMDB0041510
MEKWLWHELUEYHS-VGGMDSHUSA-N 		Gibberellin A98
(1R,2R,5S,8S,9S,10S,11R,16S)-5,16-dihydroxy-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.1^{5,8}.0^{1,10}.0^{2,8}]octadecane-9-carboxylic acid
GA98

hmdb:HMDB41510 		secondary/obsolete/fantasy identifier