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Kuwanon V

PropertiesImage
MNX_IDMNXM127123 Image of MNXM127123
referencehmdb:HMDB0030115
formulaC40H38O8
global charge0
mol weight646.736
InChIKeySUQUIVSLHDOSQP-REZTVBANSA-N
InChIInChI=1S/C40H38O8/c1-22(2)4-14-28-34(44)18-16-30(38(28)46)40(48)36-31(25-8-12-27(42)13-9-25)20-23(3)21-32(36)37-35(45)19-15-29(39(37)47)33(43)17-7-24-5-10-26(41)11-6-24/h4-13,15-19,21,31-32,36,41-42,44-47H,14,20H2,1-3H3/b17-7+
SMILESCC(C)=CCC1=C(O)C=CC(C(=O)C2C(C3=C(O)C=CC(C(=O)/C=C/C4=CC=C(O)C=C4)=C3O)C=C(C)CC2C2=CC=C(O)C=C2)=C1O
MNX internals
InChI (mnx)InChI=1/C40H38O8/c1-22(2)4-14-28-34(44)18-16-30(38(28)46)40(48)36-31(25-8-12-27(42)13-9-25)20-23(3)21-32(36)37-35(45)19-15-29(39(37)47)33(43)17-7-24-5-10-26(41)11-6-24/h4-13,15-19,21,31-32,36,41-42,44-47H,14,20H2,1-3H3/b17-7+/t31?,32?,36? Image of MNXM127123
SMILES (mnx)[CH3:1][C:22]([CH3:2])=[CH:4][CH2:14][C:28]1=[C:34]([OH:44])[CH:18]=[CH:16][C:30]([C:40]([CH:36]2[CH:31]([C:25]3=[CH:9][CH:13]=[C:27]([OH:42])[CH:12]=[CH:8]3)[CH2:20][C:23]([CH3:3])=[CH:21][CH:32]2[C:37]2=[C:35]([OH:45])[CH:19]=[CH:15][C:29]([C:33](/[CH:17]=[CH:7]/[C:24]3=[CH:6][CH:11]=[C:26]([OH:41])[CH:10]=[CH:5]3)=[O:43])=[C:39]2[OH:47])=[O:48])=[C:38]1[OH:46]
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:HMDB0030115
SUQUIVSLHDOSQP-REZTVBANSA-N 		Kuwanon V
(2E)-1-(3-{6-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]-5-(4-hydroxyphenyl)-3-methylcyclohex-2-en-1-yl}-2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one

hmdb:HMDB30115 		secondary/obsolete/fantasy identifier