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Aframodial

Properties

Image

Occurences in reactions

MNX_ID

MNXM118860

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

formula

C₂₀H₃₀O₃

charge

mass

318.21949

reference

InChIKey

ZAWCPGMKVKTLKI-PJQLUOCWSA-N

InChI

InChI=1S/C20H30O3/c1-18(2)9-4-10-19(3)16(18)7-11-20(14-23-20)17(19)6-5-15(13-22)8-12-21/h5,12-13,16-17H,4,6-11,14H2,1-3H3/b15-5+

SMILES

CC1(C)CCCC2(C)C1CCC1(CO1)C2C/C=C(/C=O)CC=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
hmdb:HMDB0036806	Aframodial (2E)-2-(2-{5,5,8a-trimethyl-hexahydro-1H-spiro[naphthalene-2,2'-oxirane]-1-yl}ethylidene)butanedial (2E)-2-(2-{5,5,8a-trimethyl-octahydro-1H-spiro[naphthalene-2,2'-oxirane]-1-yl}ethylidene)butanedial 8,17-Epoxylabd-12-ene-15,16-dial 8,17-Epoxylabd-12-ene-15,16-dial, (1R-(1alpha(e),2alpha,4abeta,8aalpha))-isomer 8b,17-Epoxy-12E-labdene-15,16-dial 8beta,17-Epoxyl-12E-labdene-15,16-dial Miogadial ZT ZT-Dial
hmdb:HMDB36806	secondary/obsolete/fantasy identifier