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phomacin B

PropertiesImage
MNX_IDMNXM107740 Image of MNXM107740
referencechebi:66747
formulaC25H37NO5
global charge0
mol weight431.573
InChIKeyIXONDWQZWWLZDF-ZCMVJGEESA-N
InChIInChI=1S/C25H37NO5/c1-14(2)8-21-23-17(5)16(4)11-19-10-15(3)9-18(13-27)12-20(28)6-7-22(29)31-25(19,23)24(30)26-21/h6-7,10-11,14,17-21,23,27-28H,8-9,12-13H2,1-5H3,(H,26,30)/b7-6-,15-10+/t17-,18+,19+,20-,21+,23+,25-/m1/s1
SMILESCC1=C[C@@H]2/C=C(\C)C[C@H](CO)C[C@H](O)/C=C\C(=O)O[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C
MNX internals
InChI (mnx)InChI=1/C25H37NO5/c1-14(2)8-21-23-17(5)16(4)11-19-10-15(3)9-18(13-27)12-20(28)6-7-22(29)31-25(19,23)24(30)26-21/h6-7,10-11,14,17-21,23,27-28H,8-9,12-13H2,1-5H3,(H,26,30)/b7-6-,15-10+/t17-,18+,19+,20-,21+,23+,25-/m1/s1 Image of MNXM107740
SMILES (mnx)[CH3:1][CH:14]([CH3:2])[CH2:8][C@H:21]1[C@@H:23]2[C@H:17]([CH3:5])[C:16]([CH3:4])=[CH:11][C@@H:19]3/[CH:10]=[C:15](\[CH3:3])[CH2:9][C@H:18]([CH2:13][OH:27])[CH2:12][C@H:20]([OH:28])/[CH:6]=[CH:7]\[C:22](=[O:29])[O:31][C@:25]32[C:24]([OH:30])=[N:26]1
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:66747
chebi:66747
IXONDWQZWWLZDF-ZCMVJGEESA-N 		phomacin B
(3Z,5S,7S,9E,10aS,13S,13aS,14S,16aR)-5-hydroxy-7-(hydroxymethyl)-9,12,13-trimethyl-14-(2-methylpropyl)-6,7,8,10a,13,13a,14,15-octahydro-2H-oxacyclododecino[2,3-d]isoindole-2,16(5H)-dione