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11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin

Properties

Image

Occurences in reactions

MNX_ID

MNXM116103

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

formula

C₂₉H₄₄O₁₁

charge

mass

568.28836

reference

hmdb:HMDB0039773

InChIKey

HVJMGXBLFUQCGE-UHFFFAOYSA-N

InChI

InChI=1S/C29H44O11/c1-12-8-16(35-5)26(34)29(4)14(12)9-18-28(3)15(10-19(36-6)39-18)13(2)23(37-7)24(25(28)29)40-27-22(33)21(32)20(31)17(11-30)38-27/h8,12,14-15,17-22,24-25,27,30-33H,9-11H2,1-7H3

SMILES

COC1=CC(C)C2CC3OC(OC)CC4C(C)=C(OC)C(OC5OC(CO)C(O)C(O)C5O)C(C2(C)C1=O)C34C

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Similar chemical compounds in external resources
Identifier	Description
hmdb:HMDB0039773	11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin 11-a-O-b-D-Glucopyranosyl-16a-O-methylneoquassin 11-alpha-O-beta-D-glucopyranosyl-16alpha-O-methylneoquassin 4,11,15-trimethoxy-2,6,14,17-tetramethyl-16-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-4,14-dien-3-one Betavulgaroside V
hmdb:HMDB39773	secondary/obsolete/fantasy identifier