Met006166: Trichoverritone

Metabolite Information

Name

Trichoverritone

IUPAC Name

[(1S,2R,7R,9R,11R,12S)-2-[[(E)-5-hydroxy-3-methylpent-2-enoyl]oxymethyl]-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] (2Z,4E)-7-hydroxy-6-[2-(5-oxo-2H-furan-3-yl)ethoxy]octa-2,4-dienoate

Molecular Formula

C35H46O11

Molecular Weight

642.7

Exact Mass

642.3040123

SMILES

CC1=CC2C(CC1)(C3(C(CC(C34CO4)O2)OC(=O)C=CC=CC(C(C)O)OCCC5=CC(=O)OC5)C)COC(=O)C=C(C)CCO

InChIKey

SBZMQFWYHDOLHG-MZKSFLEOSA-N

InChI

InChI=1S/C35H46O11/c1-22-9-12-34(20-43-31(39)16-23(2)10-13-36)28(15-22)45-29-18-27(33(34,4)35(29)21-44-35)46-30(38)8-6-5-7-26(24(3)37)41-14-11-25-17-32(40)42-19-25/h5-8,15-17,24,26-29,36-37H,9-14,18-21H2,1-4H3/b7-5+,8-6-,23-16+/t24?,26?,27-,28-,29-,33-,34-,35+/m1/s1