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3-O-alpha-L-Arabinopyranosylcinnamtannin B1

Properties

Image

Occurences in reactions

MNX_ID

MNXM117573

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

formula

C₅₀H₄₄O₂₂

charge

mass

996.23242

reference

hmdb:HMDB0039863

InChIKey

QWIMQWJUSBZQGZ-UHFFFAOYSA-N

InChI

InChI=1S/C50H44O22/c51-19-10-28(59)35-33(11-19)71-50(18-3-6-23(54)27(58)9-18)48(70-49-43(66)41(64)32(63)15-67-49)40(35)38-34(72-50)14-30(61)37-39(42(65)45(69-47(37)38)17-2-5-22(53)26(57)8-17)36-29(60)13-24(55)20-12-31(62)44(68-46(20)36)16-1-4-21(52)25(56)7-16/h1-11,13-14,31-32,39-45,48-49,51-66H,12,15H2

SMILES

Oc1cc(O)c2c(c1)OC1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3C2C1OC1OCC(O)C(O)C1O)OC(c1ccc(O)c(O)c1)C(O)C4c1c(O)cc(O)c2c1OC(c1ccc(O)c(O)c1)C(O)C2

Parent-child relations graph

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Similar chemical compounds in external resources
Identifier	Description
hmdb:HMDB0039863	3-O-alpha-L-Arabinopyranosylcinnamtannin B1 3-O-a-L-Arabinopyranosylcinnamtannin b1 3-O-alpha-L-arabinopyranosylcinnamtannin b1 5,13-bis(3,4-dihydroxyphenyl)-7-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-21-[(3,4,5-trihydroxyoxan-2-yl)oxy]-4,12,14-trioxapentacyclo[11.7.1.0²,¹¹.0³,⁸.0¹⁵,²⁰]henicosa-2(11),3(8),9,15(20),16,18-hexaene-6,9,17,19-tetrol Colloid 602 Dricoid FEMA 2941 Kelcoloid Many other trade names Propylene glycol alginic acid e405
hmdb:HMDB39863	secondary/obsolete/fantasy identifier