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Cassitoroside

Properties

Image

Occurences in reactions

MNX_ID

MNXM120320

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₂₅H₃₂O₁₄

charge

mass

556.17921

reference

chebi:168719

InChIKey

PGDDDJBSORSPAG-UHFFFAOYSA-N

InChI

InChI=1S/C25H32O14/c1-10(28)16-13(38-24-22(32)25(33,8-27)9-36-24)5-11-4-12(34-2)6-14(17(11)21(16)35-3)37-23-20(31)19(30)18(29)15(7-26)39-23/h4-6,15,18-20,22-24,26-27,29-33H,7-9H2,1-3H3

SMILES

COc1cc(OC2OC(CO)C(O)C(O)C2O)c2c(OC)c(C(C)=O)c(OC3OCC(O)(CO)C3O)cc2c1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:168719 chebi:168719	Cassitoroside 1-[3-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-1,6-dimethoxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalen-2-yl]ethanone
hmdb:HMDB0041289	Cassitoroside 1-(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-1,6-dimethoxy-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalen-2-yl)ethan-1-one 1-(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-1,6-dimethoxy-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalen-2-yl)ethanone
hmdb:HMDB41289	secondary/obsolete/fantasy identifier