input word = C00012600

Metabolite InformationStructural formula
Name (7R,8S)-7'-Deoxo-2'-deoxy-2',3':7,8-diepoxy-7',5'-(ethylideneoxy)verrucarin A
7beta,8beta-2',3'-Diepoxyroridin H
Formula C29H34O10
Mw 542.21519731
CAS RN 64687-84-9
C_ID C00012600 ,
InChIKey JIOIZCCNKQQRDN-KQQUZDAGNA-N
InChICode InChI=1S/C29H34O10/c1-14-9-18-28(23-22(14)38-23)12-32-25(31)24-26(3,39-24)11-21-34-15(2)16(35-21)7-5-6-8-20(30)37-17-10-19(36-18)29(13-33-29)27(17,28)4/h5-9,15-19,21-24H,10-13H2,1-4H3/b7-5+,8-6+/t15-,16-,17+,18-,19+,21+,22-,23-,24+,26-,27+,28-,29-/m1/s1
SMILES [C@@]12([C@H]3O[C@@H]4C=C([C@@H]5[C@H]([C@@]64[C@@]2([C@@H](OC(=O)/C=C/C=C/[C@@H]2[C@H](O[C@H](C[C@@]4([C@H](C(=O)OC6)O4)C)O2)C)C3)C)O5)C)CO1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiNectriaceaeCylindrocarpon sp. PF-60 Ref.
zoom in