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25-Acetyl-6,7-didehydrofevicordin F 3-[glucosyl-(1->6)-glucoside]

Properties

Image

Occurences in reactions

MNX_ID

MNXM117075

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

formula

C₄₃H₆₂O₁₈

charge

mass

866.39362

reference

hmdb:HMDB0036339

InChIKey

SQETUVZNOCBWJQ-VAWYXSNFSA-N

InChI

InChI=1S/C43H62O18/c1-18-20-9-10-26-40(5)14-23(47)36(43(8,56)27(48)11-12-39(3,4)61-19(2)45)41(40,6)15-28(49)42(26,7)21(20)13-22(46)35(18)60-38-34(55)32(53)30(51)25(59-38)17-57-37-33(54)31(52)29(50)24(16-44)58-37/h9-13,23-27,29-34,36-38,44,46-48,50-56H,14-17H2,1-8H3/b12-11+

SMILES

CC(=O)OC(C)(C)/C=C/C(O)C(C)(O)C1C(O)CC2(C)C3C=Cc4c(cc(O)c(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)c4C)C3(C)C(=O)CC12C

Parent-child relations graph

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Similar chemical compounds in external resources
Identifier	Description
hmdb:HMDB0036339	25-Acetyl-6,7-didehydrofevicordin F 3-[glucosyl-(1->6)-glucoside] (3E)-6-(4,13-Dihydroxy-1,6,11,15-tetramethyl-17-oxo-5-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2,4,6,8-tetraen-14-yl)-5,6-dihydroxy-2-methylhept-3-en-2-yl acetic acid (3E)-6-(4,13-dihydroxy-1,6,11,15-tetramethyl-17-oxo-5-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2,4,6,8-tetraen-14-yl)-5,6-dihydroxy-2-methylhept-3-en-2-yl acetate
hmdb:HMDB36339	secondary/obsolete/fantasy identifier