input word = C00012664

Metabolite InformationStructural formula
Name [4beta(2Z,4E,6S,7S)]- 12,13-Epoxytrichothec-9-ene-4,16-diol 4-(6,7-dihydroxy-2,4-octadienoate)
Formula C23H32O7
Mw 420.21480338
CAS RN 86004-56-0
C_ID C00012664 ,
InChIKey VOMLNLQETZSQIE-VMMOCFICNA-N
InChICode InChI=1S/C23H32O7/c1-14(25)16(26)6-4-5-7-20(27)30-18-11-19-23(13-28-23)22(18,3)21(2)9-8-15(12-24)10-17(21)29-19/h4-7,10,14,16-19,24-26H,8-9,11-13H2,1-3H3/b6-4+,7-5+/t14-,16+,17-,18+,19+,21+,22+,23-/m1/s1
SMILES C1[C@]2([C@@H](C=C(C1)CO)O[C@@H]1[C@]3([C@]2([C@H](C1)OC(=O)/C=C/C=C/[C@H](O)[C@@H](C)O)C)OC3)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiIncertae sedisMyrothecium verrucaria Ref.
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OrganismMyrothecium verrucaria
ReferenceJarvis,J.Org.Chem.,47,(1982),1117