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Artonin S

PropertiesImage
MNX_IDMNXM42746 Image of MNXM42746
referencechebi:190349
formulaC26H28O7
global charge0
mol weight452.503
InChIKeyAZRHPJPAQJTIOC-UHFFFAOYSA-N
InChIInChI=1S/C26H28O7/c1-13(2)6-8-15-18(31-5)12-20-22(23(15)28)24(29)17-11-21(26(3,4)30)32-19-10-14(27)7-9-16(19)25(17)33-20/h6-7,9-10,12,21,27-28,30H,8,11H2,1-5H3
SMILESCOC1=CC2=C(C(=O)C3=C(O2)C2=C(C=C(O)C=C2)OC(C(C)(C)O)C3)C(O)=C1CC=C(C)C
MNX internals
InChI (mnx)InChI=1/C26H28O7/c1-13(2)6-8-15-18(31-5)12-20-22(23(15)28)24(29)17-11-21(26(3,4)30)32-19-10-14(27)7-9-16(19)25(17)33-20/h6-7,9-10,12,21,27-28,30H,8,11H2,1-5H3/t21? Image of MNXM42746
SMILES (mnx)[CH3:1][C:13]([CH3:2])=[CH:6][CH2:8][C:15]1=[C:18]([O:31][CH3:5])[CH:12]=[C:20]2[C:22](=[C:23]1[OH:28])[C:24](=[O:29])[C:17]1=[C:25]([C:16]3=[C:19]([CH:10]=[C:14]([OH:27])[CH:7]=[CH:9]3)[O:32][CH:21]([C:26]([CH3:3])([CH3:4])[OH:30])[CH2:11]1)[O:33]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:190349
chebi:190349
AZRHPJPAQJTIOC-UHFFFAOYSA-N 		Artonin S
3,9-dihydroxy-6-(2-hydroxypropan-2-yl)-11-methoxy-10-(3-methylbut-2-enyl)-6,7-dihydrochromeno[3,2-d][1]benzoxepin-8-one

lipidmaps:LMPK12111525
lipidmapsM:LMPK12111525
AZRHPJPAQJTIOC-UHFFFAOYSA-N 		Artonin S