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Crotalarin

PropertiesImage
MNX_IDMNXM47815 Image of MNXM47815
referencechebi:187371
formulaC20H18O5
global charge0
mol weight338.359
InChIKeyXIQJWMALSPXBMN-UHFFFAOYSA-N
InChIInChI=1S/C20H18O5/c1-20(2)8-7-13-16(25-20)9-15(22)17-18(23)14(10-24-19(13)17)11-3-5-12(21)6-4-11/h3-6,9-10,21-22H,7-8H2,1-2H3
SMILESCC1(C)CCC2=C(C=C(O)C3=C2OC=C(C2=CC=C(O)C=C2)C3=O)O1
MNX internals
InChI (mnx)InChI=1/C20H18O5/c1-20(2)8-7-13-16(25-20)9-15(22)17-18(23)14(10-24-19(13)17)11-3-5-12(21)6-4-11/h3-6,9-10,21-22H,7-8H2,1-2H3 Image of MNXM47815
SMILES (mnx)[CH3:1][C:20]1([CH3:2])[CH2:8][CH2:7][C:13]2=[C:16]([CH:9]=[C:15]([OH:22])[C:17]3=[C:19]2[O:24][CH:10]=[C:14]([C:11]2=[CH:4][CH:6]=[C:12]([OH:21])[CH:5]=[CH:3]2)[C:18]3=[O:23])[O:25]1
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:187371
chebi:187371
XIQJWMALSPXBMN-UHFFFAOYSA-N 		Crotalarin
5-hydroxy-3-(4-hydroxyphenyl)-8,8-dimethyl-9,10-dihydropyrano[2,3-h]chromen-4-one

lipidmaps:LMPK12050208
lipidmapsM:LMPK12050208
XIQJWMALSPXBMN-UHFFFAOYSA-N 		Crotalarin