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Cinncassiol C1 19-glucoside

Properties

Image

Occurences in reactions

MNX_ID

MNXM120555

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

formula

C₂₆H₃₈O₁₂

charge

mass

542.23633

reference

chebi:177927

InChIKey

UUAKLIKPAJSLHI-UHFFFAOYSA-N

InChI

InChI=1S/C26H38O12/c1-11-5-6-24(34)22(3)10-25(35)23(4,21(33)26(24,38-25)19(11)32)13(7-15(22)28)12(2)9-36-20-18(31)17(30)16(29)14(8-27)37-20/h7,11-12,14,16-20,27,29-32,34-35H,5-6,8-10H2,1-4H3

SMILES

CC(COC1OC(CO)C(O)C(O)C1O)C1=CC(=O)C2(C)CC3(O)OC4(C(=O)C13C)C(O)C(C)CCC24O

Parent-child relations graph

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Similar chemical compounds in external resources
Identifier	Description
CHEBI:177927 chebi:177927	Cinncassiol C1 19-glucoside 2,6,9-trihydroxy-1,5,10-trimethyl-11-[1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-8-oxatetracyclo[7.4.1.17,10.02,7]pentadec-11-ene-13,15-dione
hmdb:HMDB0035167	Cinncassiol C1 19-glucoside 2,6,9-trihydroxy-1,5,10-trimethyl-11-(1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-8-oxatetracyclo[7.4.1.1⁷,¹⁰.0²,⁷]pentadec-11-ene-13,15-dione
hmdb:HMDB35167	secondary/obsolete/fantasy identifier