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4-Propanoyl-HT2 toxin

Properties

Image

Occurences in reactions

MNX_ID

MNXM118031

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

formula

C₂₅H₃₆O₉

charge

mass

480.23593

reference

chebi:175767

InChIKey

HHSVPRXLNYVHLR-UHFFFAOYSA-N

InChI

InChI=1S/C25H36O9/c1-7-18(27)34-21-20(29)22-25(12-31-25)23(21,6)24(11-30-15(5)26)10-16(14(4)9-17(24)33-22)32-19(28)8-13(2)3/h9,13,16-17,20-22,29H,7-8,10-12H2,1-6H3

SMILES

CCC(=O)OC1C(O)C2OC3C=C(C)C(OC(=O)CC(C)C)CC3(COC(C)=O)C1(C)C21CO1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:175767 chebi:175767	4-Propanoyl-HT2 toxin [2-(acetyloxymethyl)-10-hydroxy-1,5-dimethyl-11-propanoyloxyspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate
hmdb:HMDB0036161	4-Propanoyl-HT2 toxin 2'-[(Acetyloxy)methyl]-10'-hydroxy-1',5'-dimethyl-11'-(propanoyloxy)-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-4'-yl 3-methylbutanoic acid 2'-[(acetyloxy)methyl]-10'-hydroxy-1',5'-dimethyl-11'-(propanoyloxy)-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-4'-yl 3-methylbutanoate
hmdb:HMDB36161	secondary/obsolete/fantasy identifier