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26-hydroxybrassinolide

MNXM9921 is deprecated and here replaced by MNXM741797
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM741797 Image of MNXM741797
referencechebi:133461
formulaC28H48O7
global charge0
mol weight496.685
InChIKeyWPKOZIBAIWHRJZ-AKUSXIJMSA-N
InChIInChI=1S/C28H48O7/c1-14(12-29)15(2)24(32)25(33)16(3)18-6-7-19-17-13-35-26(34)21-10-22(30)23(31)11-28(21,5)20(17)8-9-27(18,19)4/h14-25,29-33H,6-13H2,1-5H3/t14?,15-,16-,17-,18+,19-,20-,21+,22-,23+,24+,25+,27+,28+/m0/s1
SMILESCC(CO)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3COC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C
MNX internals
InChI (mnx)InChI=1/C28H48O7/c1-14(12-29)15(2)24(32)25(33)16(3)18-6-7-19-17-13-35-26(34)21-10-22(30)23(31)11-28(21,5)20(17)8-9-27(18,19)4/h14-25,29-33H,6-13H2,1-5H3/t14?,15-,16-,17-,18+,19-,20-,21+,22-,23+,24+,25+,27+,28+/m0/s1 Image of MNXM741797
SMILES (mnx)[CH3:1][CH:14]([CH2:12][OH:29])[C@H:15]([CH3:2])[C@H:24]([C@@H:25]([C@@H:16]([CH3:3])[C@H:18]1[CH2:6][CH2:7][C@H:19]2[C@@H:17]3[CH2:13][O:35][C:26](=[O:34])[C@H:21]4[CH2:10][C@H:22]([OH:30])[C@H:23]([OH:31])[CH2:11][C@:28]4([CH3:5])[C@H:20]3[CH2:8][CH2:9][C@:27]12[CH3:4])[OH:33])[OH:32]
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:133461
chebi:133461
WPKOZIBAIWHRJZ-AKUSXIJMSA-N 		26-hydroxybrassinolide
(22R,23R)-2alpha,3alpha,22,23,26-pentahydroxy-6,7-seco-5alpha-campestano-6,7-lactone
(3aS,5S,6R,7aR,7bS,9aS,10R,12aS,12bS)-5,6-dihydroxy-7a,9a-dimethyl-10-[(2S,3R,4R,5S)-3,4,7-trihydroxy-5,6-dimethylheptan-2-yl]hexadecahydro-3H-benzo[c]indeno[5,4-e]oxepin-3-one