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Artonin C

PropertiesImage
MNX_IDMNXM119377 Image of MNXM119377
referencehmdb:HMDB0035964
formulaC40H38O10
global charge0
mol weight678.734
InChIKeyJMWCPXJWKKIWQK-NUTCGYRKSA-N
InChIInChI=1S/C40H38O10/c1-20(2)4-9-26-32(44)14-12-28(38(26)48)40(50)36-29(25-10-8-24(42)19-35(25)47)16-21(3)17-30(36)37-33(45)15-11-27(39(37)49)31(43)13-6-22-5-7-23(41)18-34(22)46/h4-15,17-20,29-30,36,41-42,44-49H,16H2,1-3H3/b9-4+,13-6+
SMILESCC1=CC(C2=C(O)C=CC(C(=O)/C=C/C3=C(O)C=C(O)C=C3)=C2O)C(C(=O)C2=C(O)C(/C=C/C(C)C)=C(O)C=C2)C(C2=C(O)C=C(O)C=C2)C1
MNX internals
InChI (mnx)InChI=1/C40H38O10/c1-20(2)4-9-26-32(44)14-12-28(38(26)48)40(50)36-29(25-10-8-24(42)19-35(25)47)16-21(3)17-30(36)37-33(45)15-11-27(39(37)49)31(43)13-6-22-5-7-23(41)18-34(22)46/h4-15,17-20,29-30,36,41-42,44-49H,16H2,1-3H3/b9-4+,13-6+/t29?,30?,36? Image of MNXM119377
SMILES (mnx)[CH3:1][CH:20]([CH3:2])/[CH:4]=[CH:9]/[C:26]1=[C:32]([OH:44])[CH:14]=[CH:12][C:28]([C:40]([CH:36]2[CH:29]([C:25]3=[C:35]([OH:47])[CH:19]=[C:24]([OH:42])[CH:8]=[CH:10]3)[CH2:16][C:21]([CH3:3])=[CH:17][CH:30]2[C:37]2=[C:33]([OH:45])[CH:15]=[CH:11][C:27]([C:31](/[CH:13]=[CH:6]/[C:22]3=[C:34]([OH:46])[CH:18]=[C:23]([OH:41])[CH:7]=[CH:5]3)=[O:43])=[C:39]2[OH:49])=[O:50])=[C:38]1[OH:48]
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:HMDB0035964
JMWCPXJWKKIWQK-NUTCGYRKSA-N 		Artonin C
(2E)-1-[3-(6-{2,4-dihydroxy-3-[(1E)-3-methylbut-1-en-1-yl]benzoyl}-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl)-2,4-dihydroxyphenyl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one

hmdb:HMDB35964 		secondary/obsolete/fantasy identifier