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Amlaic acid

Properties

Image

Occurences in reactions

MNX_ID

MNXM119122

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

formula

C₂₇H₂₄O₁₉

charge

mass

652.09118

reference

hmdb:HMDB0036349

InChIKey

KFDXRACNJCIDON-UHFFFAOYSA-N

InChI

InChI=1S/C27H24O19/c28-5-12-20-19(36)22(27(42-12)46-24(39)6-1-9(29)16(33)10(30)2-6)45-25(40)8-3-11(31)17(34)18(35)14(8)15-7(23(37)38)4-13(32)43-21(15)26(41)44-20/h1-3,7,12,15,19-22,27-31,33-36H,4-5H2,(H,37,38)

SMILES

O=C1CC(C(=O)O)C2c3c(cc(O)c(O)c3O)C(=O)OC3C(OC(=O)c4cc(O)c(O)c(O)c4)OC(CO)C(OC(=O)C2O1)C3O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
hmdb:HMDB0036349	Amlaic acid 11,12,13,22-Tetrahydroxy-21-(hydroxymethyl)-3,6,16-trioxo-19-(3,4,5-trihydroxybenzoyloxy)-2,5,17,20-tetraoxatetracyclo[16.3.1.0⁴,⁹.0¹⁰,¹⁵]docosa-10,12,14-triene-8-carboxylate 11,12,13,22-tetrahydroxy-21-(hydroxymethyl)-3,6,16-trioxo-19-(3,4,5-trihydroxybenzoyloxy)-2,5,17,20-tetraoxatetracyclo[16.3.1.0⁴,⁹.0¹⁰,¹⁵]docosa-10(15),11,13-triene-8-carboxylic acid Allyl methyl tetrasulfide Amlaate Methyl 2-propenyl tetrasulphide
hmdb:HMDB36349	secondary/obsolete/fantasy identifier