input word = C00012620

Metabolite InformationStructural formula
Name (+)-Roridin L-2
Roridin L 2
[4beta(2Z,4E)]-4-[6-[2-(2,5-Dihydro-5-oxo-3-furanyl)ethoxy]-7-hydroxy-2,4-octadienoate] 12,13-epoxytrichothec-9-ene-4,15-diol
Formula C29H38O9
Mw 530.25158281
CAS RN 85124-22-7
C_ID C00012620 ,
InChIKey JGIYRVDWRBKREW-UHFFFAOYNA-N
InChICode InChI=1S/C29H38O9/c1-18-8-10-28(16-30)23(12-18)37-24-14-22(27(28,3)29(24)17-36-29)38-25(32)7-5-4-6-21(19(2)31)34-11-9-20-13-26(33)35-15-20/h4-7,12-13,19,21-24,30-31H,8-11,14-17H2,1-3H3/b6-4+,7-5+/t19-,21+,22+,23-,24+,27+,28-,29-/m1/s1
SMILES C1[C@]2([C@@H](C=C(C1)C)O[C@@H]1[C@]3([C@]2([C@H](C1)OC(=O)/C=C/C=C/[C@@H]([C@@H](C)O)OCCC1=CC(=O)OC1)C)OC3)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiIncertae sedisMyrothecium roridum Ref.
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OrganismMyrothecium roridum
ReferenceBloem,Tetrahedron Lett.,24,(1983),249