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(3R)-3-farnesyl-6-hydroxy-2,3,5-trimethyl-4-oxocyclohexa-1,5-diene-1-carboxylate

PropertiesImage
MNX_IDMNXM163181 Image of MNXM163181
referencechebi:131857
formulaC25H34O4
global charge-2
mol weight398.543
InChIKeyBAJLPQKQXYOBIY-MNPZXIHOSA-L
InChIInChI=1S/C25H36O4/c1-16(2)10-8-11-17(3)12-9-13-18(4)14-15-25(7)20(6)21(24(28)29)22(26)19(5)23(25)27/h10,12,14,26H,8-9,11,13,15H2,1-7H3,(H,28,29)/p-2/b17-12+,18-14+/t25-/m1/s1
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@@]1(C)C(=O)C(C)=C([O-])C(C(=O)[O-])=C1C
MNX internals
InChI (mnx)InChI=1/C25H36O4/c1-16(2)10-8-11-17(3)12-9-13-18(4)14-15-25(7)20(6)21(24(28)29)22(26)19(5)23(25)27/h10,12,14,26H,8-9,11,13,15H2,1-7H3,(H,28,29)/b17-12+,18-14+/t25-/m1/s1 Image of MNXM163181
SMILES (mnx)[CH3:1][C:16]([CH3:2])=[CH:10][CH2:8][CH2:11]/[C:17]([CH3:3])=[CH:12]/[CH2:9][CH2:13]/[C:18]([CH3:4])=[CH:14]/[CH2:15][C@:25]1([CH3:7])[C:20]([CH3:6])=[C:21]([C:24](=[O:28])[OH:29])[C:22]([OH:26])=[C:19]([CH3:5])[C:23]1=[O:27]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:131857
chebi:131857
BAJLPQKQXYOBIY-MNPZXIHOSA-L 		(3R)-3-farnesyl-6-hydroxy-2,3,5-trimethyl-4-oxocyclohexa-1,5-diene-1-carboxylate
(3R)-2,3,5-trimethyl-6-oxido-4-oxo-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]cyclohexa-1,5-diene-1-carboxylate
(3R)-farnesyl-2,3,5-trimethyl-6-oxido-4-oxocyclohexa-1,5-diene-1-carboxylate

CHEBI:132128
chebi:132128
BAJLPQKQXYOBIY-MNPZXIHOSA-N 		(3R)-farnesyl-6-hydroxy-2,3,5-trimethyl-4-oxocyclohexa-1,5-diene-1-carboxylic acid
(3R)-6-hydroxy-2,3,5-trimethyl-4-oxo-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]cyclohexa-1,5-diene-1-carboxylic acid