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Angeolide

Properties

Image

Occurences in reactions

MNX_ID

MNXM119186

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

formula

C₂₄H₂₈O₄

charge

mass

380.19876

reference

hmdb:HMDB0030023

InChIKey

DZMFTLLDUYBHLI-JAIQZWGSSA-N

InChI

InChI=1S/C24H28O4/c1-3-5-11-20-23-13-12-15(14-19(23)22(26)27-20)17(8-4-2)24(23)18-10-7-6-9-16(18)21(25)28-24/h6,9,11,14-15,17H,3-5,7-8,10,12-13H2,1-2H3/b20-11-

SMILES

CCC/C=C1\OC(=O)C2=CC3CCC21C1(OC(=O)C2=C1CCC=C2)C3CCC

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
hmdb:HMDB0030023	Angeolide (2'Z)-2'-butylidene-8'-propyl-6,7-dihydro-3'-oxaspiro[2-benzofuran-1,9'-tricyclo[5.2.2.0¹,⁵]undecan]-5'-ene-3,4'-dione (2'Z)-2'-butylidene-8'-propyl-6,7-dihydro-3H-3'-oxaspiro[2-benzofuran-1,9'-tricyclo[5.2.2.0¹,⁵]undecan]-5'-ene-3,4'-dione Isohumulone a2 Photoisohumulone
hmdb:HMDB30023	secondary/obsolete/fantasy identifier