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Artonol A

PropertiesImage
MNX_IDMNXM119382 Image of MNXM119382
referencechebi:175508
formulaC21H20O5
global charge0
mol weight352.386
InChIKeyXCESLDIMJGQRPW-UHFFFAOYSA-N
InChIInChI=1S/C21H20O5/c1-10(2)11-7-13-18(24)17-14(22)9-16-12(5-6-21(3,4)26-16)20(17)25-19(13)15(23)8-11/h5-6,9,11,22H,1,7-8H2,2-4H3
SMILESC=C(C)C1CC(=O)C2=C(C1)C(=O)C1=C(O2)C2=C(C=C1O)OC(C)(C)C=C2
MNX internals
InChI (mnx)InChI=1/C21H20O5/c1-10(2)11-7-13-18(24)17-14(22)9-16-12(5-6-21(3,4)26-16)20(17)25-19(13)15(23)8-11/h5-6,9,11,22H,1,7-8H2,2-4H3/t11? Image of MNXM119382
SMILES (mnx)[CH2:1]=[C:10]([CH3:2])[CH:11]1[CH2:7][C:13]2=[C:19]([C:15](=[O:23])[CH2:8]1)[O:25][C:20]1=[C:17]([C:14]([OH:22])=[CH:9][C:16]3=[C:12]1[CH:5]=[CH:6][C:21]([CH3:3])([CH3:4])[O:26]3)[C:18]2=[O:24]
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:175508
chebi:175508
XCESLDIMJGQRPW-UHFFFAOYSA-N 		Artonol A
6-hydroxy-3,3-dimethyl-9-prop-1-en-2-yl-9,10-dihydro-8H-pyrano[2,3-c]xanthene-7,11-dione
hmdb:HMDB0030487
XCESLDIMJGQRPW-UHFFFAOYSA-N 		Artonol A
11-hydroxy-2,2-dimethyl-8-(prop-1-en-2-yl)-2,6,7,8,9,10-hexahydro-1,5-dioxatetraphene-6,10-dione
11-hydroxy-2,2-dimethyl-8-(prop-1-en-2-yl)-8,9-dihydro-7H-1,5-dioxatetraphene-6,10-dione

hmdb:HMDB30487 		secondary/obsolete/fantasy identifier