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Gibberellin A81

MNXM5768 is deprecated and here replaced by MNXM1105859
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1105859 Image of MNXM1105859
referencehmdb:HMDB0038080
formulaC19H24O6
global charge0
mol weight348.395
InChIKeyBKBYHSYZKIAJDA-QITPSVHSSA-N
InChIInChI=1S/C19H24O6/c1-9-5-17-8-18(9,24)4-3-11(17)19-7-10(20)6-16(2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)/t10-,11+,12+,13+,16+,17-,18-,19+/m0/s1
SMILESC=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12C[C@@H](O)C[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O
MNX internals
InChI (mnx)InChI=1/C19H24O6/c1-9-5-17-8-18(9,24)4-3-11(17)19-7-10(20)6-16(2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)/t10-,11+,12+,13+,16+,17-,18-,19+/m0/s1 Image of MNXM1105859
SMILES (mnx)[CH2:1]=[C:9]1[CH2:5][C@:17]23[CH2:8][C@@:18]1([OH:24])[CH2:4][CH2:3][C@H:11]2[C@:19]12[CH2:7][C@@H:10]([OH:20])[CH2:6][C@:16]([CH3:2])([C@H:13]1[C@@H:12]3[C:14](=[O:21])[OH:22])[C:15](=[O:23])[O:25]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
hmdb:HMDB0038080
BKBYHSYZKIAJDA-QITPSVHSSA-N 		Gibberellin A81
(1R,2R,5S,8S,9S,10R,11R,13S)-5,13-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1^{5,8}.0^{1,10}.0^{2,8}]heptadecane-9-carboxylic acid
GA81
hmdb:HMDB0303458
BKBYHSYZKIAJDA-UHFFFAOYSA-N 		Gibberellin A29
(2E,6Z)-2,6-Nonadien-1-yl acetic acid
(2E,6Z)-Nona-2,6-dienyl acetate
1-Acetate(2E,6Z)-2,6-nonadien-1-ol
2(e)-6(e)-Nonadienyl acetate
2-Epi-gibberellin a29
2-trans-6-cis-Nonadienyl acetate
5,13-Dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1⁵,⁸.0¹,¹⁰.0²,⁸]heptadecane-9-carboxylate
5,13-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1⁵,⁸.0¹,¹⁰.0²,⁸]heptadecane-9-carboxylic acid
Acetate(2E,6Z)-2,6-nonadien-1-ol
Acetate(e,Z)-2,6-nonadien-1-ol
FEMA 3952
GA81
Nonadienyl acetate
trans,cis-2,6-Nonadienyl acetate
trans-2,cis-6-Nonadienyl acetate
trans-2-cis-6-Nonadienyl acetate

hmdb:HMDB38080 		secondary/obsolete/fantasy identifier