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eriosemaone C

PropertiesImage
MNX_IDMNXM52500 Image of MNXM52500
referencechebi:73778
formulaC31H30O8
global charge0
mol weight530.573
InChIKeyXFFLLCTVQRLAND-VWLOTQADSA-N
InChIInChI=1S/C31H30O8/c1-15(2)5-7-19-29-16(9-10-31(3,4)39-29)11-21-23(34)14-25(38-30(19)21)26-27(36)20(13-24(35)28(26)37)18-8-6-17(32)12-22(18)33/h5-6,8-13,25,32-33,35-37H,7,14H2,1-4H3/t25-/m0/s1
SMILESCC(C)=CCC1=C2OC(C)(C)C=CC2=CC2=C1O[C@H](C1=C(O)C(C3=CC=C(O)C=C3O)=CC(O)=C1O)CC2=O
MNX internals
InChI (mnx)InChI=1/C31H30O8/c1-15(2)5-7-19-29-16(9-10-31(3,4)39-29)11-21-23(34)14-25(38-30(19)21)26-27(36)20(13-24(35)28(26)37)18-8-6-17(32)12-22(18)33/h5-6,8-13,25,32-33,35-37H,7,14H2,1-4H3/t25-/m0/s1 Image of MNXM52500
SMILES (mnx)[CH3:1][C:15]([CH3:2])=[CH:5][CH2:7][C:19]1=[C:29]2[C:16](=[CH:11][C:21]3=[C:30]1[O:38][C@H:25]([C:26]1=[C:27]([OH:36])[C:20]([C:18]4=[C:22]([OH:33])[CH:12]=[C:17]([OH:32])[CH:6]=[CH:8]4)=[CH:13][C:24]([OH:35])=[C:28]1[OH:37])[CH2:14][C:23]3=[O:34])[CH:9]=[CH:10][C:31]([CH3:3])([CH3:4])[O:39]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:73778
chebi:73778
XFFLLCTVQRLAND-VWLOTQADSA-N 		eriosemaone C
(8S)-2,2-dimethyl-10-(3-methylbut-2-en-1-yl)-8-(2,2',4,4',5-pentahydroxybiphenyl-3-yl)-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-6-one
(S)-2',3',6'-Trihydroxy-8-prenyl-5'-(2,4-dihydroxyphenyl)-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone

lipidmaps:LMPK12140004
lipidmapsM:LMPK12140004
XFFLLCTVQRLAND-VWLOTQADSA-N 		Eriosemaone C
(S)-2',3',6'-Trihydroxy-8-prenyl-5'-(2,4-dihydroxyphenyl)-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone