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Neoacrimarine I

Properties

Image

Occurences in reactions

MNX_ID

MNXM128629

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

formula

C₂₉H₂₅NO₉

charge

mass

531.15293

reference

hmdb:HMDB0034788

InChIKey

MHUAXBOYNZWGTG-UHFFFAOYSA-N

InChI

InChI=1S/C29H25NO9/c1-29(2)28(34)27(22-18(39-29)8-5-13-6-10-20(32)37-25(13)22)38-26-19(36-4)9-7-15-23(26)30-16-11-14(35-3)12-17(31)21(16)24(15)33/h5-12,27-28,31,34H,1-4H3,(H,30,33)

SMILES

COc1cc(O)c2c(=O)c3ccc(OC)c(OC4c5c(ccc6ccc(=O)oc56)OC(C)(C)C4O)c3[nH]c2c1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
hmdb:HMDB0034788	Neoacrimarine I (-)-Neoacrimarine-I 1-hydroxy-5-({13-hydroxy-12,12-dimethyl-4-oxo-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),5,8-tetraen-14-yl}oxy)-3,6-dimethoxy-10H-acridin-9-one 1-hydroxy-5-({13-hydroxy-12,12-dimethyl-4-oxo-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),5,8-tetraen-14-yl}oxy)-3,6-dimethoxy-9,10-dihydroacridin-9-one
hmdb:HMDB34788	secondary/obsolete/fantasy identifier