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(3R,5R)-7-[(1S,2S,6S,8S,8aS)-6-hydroxy-2-methyl-8-[(2S)-2-methyl-1-oxobutoxy]-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid

PropertiesImage
MNX_IDMNXM172053 Image of MNXM172053
referencechebi:94554
formulaC23H36O7
global charge0
mol weight424.534
InChIKeyTUZYXOIXSAXUGO-SDYRHPPTSA-N
InChIInChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)/t13-,14-,16+,17+,18+,19-,20-,22+/m0/s1
SMILESCC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@@H]21
MNX internals
InChI (mnx)InChI=1/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)/t13-,14-,16+,17+,18+,19-,20-,22+/m0/s1 Image of MNXM172053
SMILES (mnx)[CH3:1][CH2:4][C@H:13]([CH3:2])[C:23](=[O:29])[O:30][C@H:20]1[CH2:11][C@H:17]([OH:25])[CH:9]=[C:15]2[CH:6]=[CH:5][C@H:14]([CH3:3])[C@H:19]([CH2:8][CH2:7][C@H:16]([CH2:10][C@H:18]([CH2:12][C:21](=[O:27])[OH:28])[OH:26])[OH:24])[C@@H:22]21
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:94554
chebi:94554
TUZYXOIXSAXUGO-SDYRHPPTSA-N 		(3R,5R)-7-[(1S,2S,6S,8S,8aS)-6-hydroxy-2-methyl-8-[(2S)-2-methyl-1-oxobutoxy]-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid

CHEBI:91841
chebi:91841
TUZYXOIXSAXUGO-XYLZAPOUSA-N 		(3R,5R)-3,5-dihydroxy-7-[(1S,2S,6S,8S)-6-hydroxy-2-methyl-8-(2-methyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid

CHEBI:94322
chebi:94322
TUZYXOIXSAXUGO-UHFFFAOYSA-N 		3,5-dihydroxy-7-[6-hydroxy-2-methyl-8-(2-methyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid