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3-Epinobilin

PropertiesImage
MNX_IDMNXM117408 Image of MNXM117408
referencechebi:175404
formulaC20H26O5
global charge0
mol weight346.423
InChIKeyQFINJHBXXJQKPB-QLDBJWRKSA-N
InChIInChI=1S/C20H26O5/c1-6-12(3)19(22)24-16-9-11(2)7-8-15(21)13(4)10-17-18(16)14(5)20(23)25-17/h6-7,10,15-18,21H,5,8-9H2,1-4H3/b11-7+,12-6-,13-10+
SMILESC=C1C(=O)OC2/C=C(\C)C(O)C/C=C(\C)CC(OC(=O)/C(C)=C\C)C12
MNX internals
InChI (mnx)InChI=1/C20H26O5/c1-6-12(3)19(22)24-16-9-11(2)7-8-15(21)13(4)10-17-18(16)14(5)20(23)25-17/h6-7,10,15-18,21H,5,8-9H2,1-4H3/b11-7+,12-6-,13-10+/t15?,16?,17?,18? Image of MNXM117408
SMILES (mnx)[CH3:1]/[CH:6]=[C:12](/[CH3:3])[C:19](=[O:22])[O:24][CH:16]1[CH2:9]/[C:11]([CH3:2])=[CH:7]/[CH2:8][CH:15]([OH:21])/[C:13]([CH3:4])=[CH:10]/[CH:17]2[CH:18]1[C:14](=[CH2:5])[C:20](=[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

CHEBI:175404
chebi:175404
QFINJHBXXJQKPB-QLDBJWRKSA-N 		3-Epinobilin
[(6E,10E)-9-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]uran-4-yl] (Z)-2-methylbut-2-enoate
hmdb:HMDB0036690
QFINJHBXXJQKPB-QLDBJWRKSA-N 		3-Epinobilin
9-Hydroxy-6,10-dimethyl-3-methylidene-2-oxo-2H,3H,3ah,4H,5H,8H,9H,11ah-cyclodeca[b]furan-4-yl (2Z)-2-methylbut-2-enoic acid
9-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-4-yl (2Z)-2-methylbut-2-enoate
9-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-4-yl (2Z)-2-methylbut-2-enoate

hmdb:HMDB36690 		secondary/obsolete/fantasy identifier