input word = C00012621

Metabolite InformationStructural formula
Name [4beta(2Z,4E)]-4-[6-[2-(2,5-Dihydro-5-oxo-3-furanyl)ethoxy]-7-hydroxy-2,4-octadienoate]12,13-epoxytrichothec-9-ene-4,15,16-triol
16-Hydroxyroridin L2
Formula C29H38O10
Mw 546.24649744
CAS RN 87292-18-0
C_ID C00012621 ,
InChIKey CCTSCDKRPDPVEO-UHFFFAOYNA-N
InChICode InChI=1S/C29H38O10/c1-18(32)21(35-10-8-20-12-26(34)36-15-20)5-3-4-6-25(33)39-22-13-24-29(17-37-29)27(22,2)28(16-31)9-7-19(14-30)11-23(28)38-24/h3-6,11-12,18,21-24,30-32H,7-10,13-17H2,1-2H3/b5-3+,6-4+/t18-,21+,22+,23-,24+,27+,28-,29+/m0/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]([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