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Hydroxyisonobilin

PropertiesImage
MNX_IDMNXM126616 Image of MNXM126616
referencehmdb:HMDB0034475
formulaC20H26O6
global charge0
mol weight362.422
InChIKeySDFKKMBWIQKUOQ-RXDMEISQSA-N
InChIInChI=1S/C20H26O6/c1-6-10(2)19(23)25-16-7-11(3)14(21)9-15(22)12(4)8-17-18(16)13(5)20(24)26-17/h6,8,14-18,21-22H,3,5,7,9H2,1-2,4H3/b10-6-,12-8-
SMILESC=C1CC(OC(=O)/C(C)=C\C)C2C(=C)C(=O)OC2/C=C(/C)C(O)CC1O
MNX internals
InChI (mnx)InChI=1/C20H26O6/c1-6-10(2)19(23)25-16-7-11(3)14(21)9-15(22)12(4)8-17-18(16)13(5)20(24)26-17/h6,8,14-18,21-22H,3,5,7,9H2,1-2,4H3/b10-6-,12-8-/t14?,15?,16?,17?,18? Image of MNXM126616
SMILES (mnx)[CH3:1]/[CH:6]=[C:10](/[CH3:2])[C:19](=[O:23])[O:25][CH:16]1[CH2:7][C:11](=[CH2:3])[CH:14]([OH:21])[CH2:9][CH:15]([OH:22])/[C:12]([CH3:4])=[CH:8]\[CH:17]2[CH:18]1[C:13](=[CH2:5])[C:20](=[O:24])[O:26]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
hmdb:HMDB0034475
SDFKKMBWIQKUOQ-RXDMEISQSA-N 		Hydroxyisonobilin
7,9-Dihydroxy-10-methyl-3,6-dimethylidene-2-oxo-2H,3H,3ah,4H,5H,6H,7H,8H,9H,11ah-cyclodeca[b]furan-4-yl (2Z)-2-methylbut-2-enoic acid
7,9-dihydroxy-10-methyl-3,6-dimethylidene-2-oxo-2H,3H,3aH,4H,5H,6H,7H,8H,9H,11aH-cyclodeca[b]furan-4-yl (2Z)-2-methylbut-2-enoate
7,9-dihydroxy-10-methyl-3,6-dimethylidene-2-oxo-3aH,4H,5H,7H,8H,9H,11aH-cyclodeca[b]furan-4-yl (2Z)-2-methylbut-2-enoate

hmdb:HMDB34475 		secondary/obsolete/fantasy identifier