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Isomasticadienonalic acid

Properties

Image

Occurences in reactions

MNX_ID

MNXM126890

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

formula

C₃₀H₄₄O₄

charge

mass

468.32396

reference

hmdb:HMDB0035434

InChIKey

CTZUXTNMDDRMNB-UFWORHAWSA-N

InChI

InChI=1S/C30H44O4/c1-19(26(33)34)8-7-9-20(18-31)21-12-16-30(6)23-10-11-24-27(2,3)25(32)14-15-28(24,4)22(23)13-17-29(21,30)5/h8,18,20-21,24H,7,9-17H2,1-6H3,(H,33,34)/b19-8+

SMILES

C/C(=C\CCC(C=O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3)C(=O)O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
hmdb:HMDB0035434	Isomasticadienonalic acid (2E)-2-Methyl-7-oxo-6-{2,6,6,11,15-pentamethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl}hept-2-enoate (2E)-2-methyl-7-oxo-6-{2,6,6,11,15-pentamethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl}hept-2-enoic acid 3,21-Dioxotirucalla-8,24E-dien-26-Oic acid Isomasticadienonalate
hmdb:HMDB35434	secondary/obsolete/fantasy identifier