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Kuwanon R

PropertiesImage
MNX_IDMNXM127122 Image of MNXM127122
referencehmdb:HMDB0030114
formulaC40H38O9
global charge0
mol weight662.735
InChIKeyLSWPUMCBBKEXMW-VIZOYTHASA-N
InChIInChI=1S/C40H38O9/c1-21(2)4-11-27-33(44)16-14-29(38(27)47)40(49)36-30(26-12-10-25(42)20-35(26)46)18-22(3)19-31(36)37-34(45)17-13-28(39(37)48)32(43)15-7-23-5-8-24(41)9-6-23/h4-10,12-17,19-20,30-31,36,41-42,44-48H,11,18H2,1-3H3/b15-7+
SMILESCC(C)=CCC1=C(O)C(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=C2O)=CC=C1O
MNX internals
InChI (mnx)InChI=1/C40H38O9/c1-21(2)4-11-27-33(44)16-14-29(38(27)47)40(49)36-30(26-12-10-25(42)20-35(26)46)18-22(3)19-31(36)37-34(45)17-13-28(39(37)48)32(43)15-7-23-5-8-24(41)9-6-23/h4-10,12-17,19-20,30-31,36,41-42,44-48H,11,18H2,1-3H3/b15-7+/t30?,31?,36? Image of MNXM127122
SMILES (mnx)[CH3:1][C:21]([CH3:2])=[CH:4][CH2:11][C:27]1=[C:33]([OH:44])[CH:16]=[CH:14][C:29]([C:40]([CH:36]2[CH:30]([C:26]3=[C:35]([OH:46])[CH:20]=[C:25]([OH:42])[CH:10]=[CH:12]3)[CH2:18][C:22]([CH3:3])=[CH:19][CH:31]2[C:37]2=[C:34]([OH:45])[CH:17]=[CH:13][C:28]([C:32](/[CH:15]=[CH:7]/[C:23]3=[CH:6][CH:9]=[C:24]([OH:41])[CH:8]=[CH:5]3)=[O:43])=[C:39]2[OH:48])=[O:49])=[C:38]1[OH:47]
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:HMDB0030114
LSWPUMCBBKEXMW-VIZOYTHASA-N 		Kuwanon R
(2E)-1-(3-{6-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl}-2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one

hmdb:HMDB30114 		secondary/obsolete/fantasy identifier