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Cassiaside

PropertiesImage
MNX_IDMNXM120316 Image of MNXM120316
referencechebi:168433
formulaC20H20O9
global charge0
mol weight404.371
InChIKeySBVZTBIAKFTNIJ-CZNQJBLBSA-N
InChIInChI=1S/C20H20O9/c1-8-5-10(22)15-12(27-8)6-9-3-2-4-11(14(9)17(15)24)28-20-19(26)18(25)16(23)13(7-21)29-20/h2-6,13,16,18-21,23-26H,7H2,1H3/t13-,16-,18+,19-,20-/m1/s1
SMILESCC1=CC(=O)C2=C(C=C3C=CC=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C3=C2O)O1
MNX internals
InChI (mnx)InChI=1/C20H20O9/c1-8-5-10(22)15-12(27-8)6-9-3-2-4-11(14(9)17(15)24)28-20-19(26)18(25)16(23)13(7-21)29-20/h2-6,13,16,18-21,23-26H,7H2,1H3/t13-,16-,18+,19-,20-/m1/s1 Image of MNXM120316
SMILES (mnx)[CH3:1][C:8]1=[CH:5][C:10](=[O:22])[C:15]2=[C:12]([CH:6]=[C:9]3[CH:3]=[CH:2][CH:4]=[C:11]([O:28][C@H:20]4[C@H:19]([OH:26])[C@@H:18]([OH:25])[C@H:16]([OH:23])[C@@H:13]([CH2:7][OH:21])[O:29]4)[C:14]3=[C:17]2[OH:24])[O:27]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:168433
chebi:168433
SBVZTBIAKFTNIJ-CZNQJBLBSA-N 		Cassiaside
5-hydroxy-2-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzo[g]chromen-4-one
hmdb:HMDB0033913
SBVZTBIAKFTNIJ-UHFFFAOYSA-N 		Cassiaside
5-hydroxy-2-methyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-benzo[g]chromen-4-one
5-hydroxy-2-methyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzo[g]chromen-4-one
Cassiaside a

hmdb:HMDB33913 		secondary/obsolete/fantasy identifier