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Erinacine C

Properties

Image

Occurences in reactions

MNX_ID

MNXM125360

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

formula

C₂₅H₃₈O₆

charge

mass

434.26684

reference

hmdb:HMDB0040389

InChIKey

DMPGFSQMXITJPT-UHFFFAOYSA-N

InChI

InChI=1S/C25H38O6/c1-13(2)15-7-8-24(3)9-10-25(4)16(18(15)24)6-5-14(11-26)20-22(25)31-23-21(30-20)19(28)17(27)12-29-23/h5,13,16-17,19-23,26-28H,6-12H2,1-4H3

SMILES

CC(C)C1=C2C3CC=C(CO)C4OC5C(OCC(O)C5O)OC4C3(C)CCC2(C)CC1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
hmdb:HMDB0040389	Erinacine C 13-(hydroxymethyl)-2,5-dimethyl-8-(propan-2-yl)-15,20,22-trioxapentacyclo[12.8.0.0²,¹⁰.0⁵,⁹.0¹⁶,²¹]docosa-8,12-diene-17,18-diol 13-(hydroxymethyl)-8-isopropyl-2,5-dimethyl-15,20,22-trioxapentacyclo[12.8.0.0²,¹⁰.0⁵,⁹.0¹⁶,²¹]docosa-8,12-diene-17,18-diol Apadoline
hmdb:HMDB40389	secondary/obsolete/fantasy identifier