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(6beta,7alpha,12beta,13beta)-7-Hydroxy-11,16-dioxo-8,14-apianadien-22,6-olide

Properties

Image

Occurences in reactions

MNX_ID

MNXM115191

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

formula

C₂₃H₂₈O₅

charge

mass

384.19367

reference

InChIKey

IEPYKUBVROCHOQ-UHFFFAOYSA-N

InChI

InChI=1S/C23H28O5/c1-10(2)23-12(24)9-11(3)14(23)13-15(19(23)26)22-8-6-7-21(4,5)18(22)17(16(13)25)28-20(22)27/h9-10,14,16-18,25H,6-8H2,1-5H3

SMILES

CC1=CC(=O)C2(C(C)C)C(=O)C3=C(C(O)C4OC(=O)C35CCCC(C)(C)C45)C12

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:175053 chebi:175053	(6beta,7alpha,12beta,13beta)-7-Hydroxy-11,16-dioxo-8,14-apianadien-22,6-olide 10-hydroxy-7,13,13-trimethyl-4-propan-2-yl-18-oxapentacyclo[9.5.2.01,12.02,9.04,8]octadeca-2(9),6-diene-3,5,17-trione
hmdb:HMDB0031380	(6beta,7alpha,12beta,13beta)-7-Hydroxy-11,16-dioxo-8,14-apianadien-22,6-olide (6b,7a,12b,13b)-7-Hydroxy-11,16-dioxo-8,14-apianadien-22,6-olide (6beta,7alpha,12beta,13beta)-7-hydroxy-11,16-dioxo-8,14-apianadien-22,6-olide 10-hydroxy-4-isopropyl-7,13,13-trimethyl-18-oxapentacyclo[9.5.2.0¹,¹².0²,⁹.0⁴,⁸]octadeca-2(9),6-diene-3,5,17-trione 10-hydroxy-7,13,13-trimethyl-4-(propan-2-yl)-18-oxapentacyclo[9.5.2.0¹,¹².0²,⁹.0⁴,⁸]octadeca-2(9),6-diene-3,5,17-trione
hmdb:HMDB31380	secondary/obsolete/fantasy identifier