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Isohumulinone A

Properties

Image

Occurences in reactions

MNX_ID

MNXM126851

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

formula

C₂₁H₃₀O₆

charge

mass

378.20424

reference

InChIKey

WDCHYVUCXSBTMH-UHFFFAOYSA-N

InChI

InChI=1S/C21H30O6/c1-10(2)7-13(22)15-16(23)20(26)9-14-18(5,6)12(11(3)4)8-19(14,25)21(20,27)17(15)24/h10,14,24-27H,7-9H2,1-6H3

SMILES

CC(C)=C1CC2(O)C(CC3(O)C(=O)C(C(=O)CC(C)C)=C(O)C32O)C1(C)C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
hmdb:HMDB0030045	Isohumulinone A 1,2,3,6-tetrahydroxy-9,9-dimethyl-4-(3-methylbutanoyl)-10-(propan-2-ylidene)tricyclo[6.3.0.0²,⁶]undec-3-en-5-one Quillaate 3-[galactosyl-(1->2)-[rhamnosyl-(1->3)]-glucuronide] 28-[6-acetyl-glucosyl-(1->3)-[xylosyl-(1->4)-rhamnosyl-(1->2)]-4-acetyl-fucosyl] ester
hmdb:HMDB30045	secondary/obsolete/fantasy identifier