input word = C00018150

Metabolite InformationStructural formula
Name 7beta,8beta-Epoxyisororidin E
Formula C29H36O9
Mw 528.23593275
CAS RN 64687-83-8
C_ID C00018150 ,
InChIKey SVPSTMIMOGGJOG-ISEDHBBKNA-N
InChICode InChI=1S/C29H36O9/c1-16-9-10-33-19(18(3)30)7-5-6-8-23(31)37-20-13-22-29(15-35-29)27(20,4)28(14-34-24(32)11-16)21(36-22)12-17(2)25-26(28)38-25/h5-8,11-12,18-22,25-26,30H,9-10,13-15H2,1-4H3/b7-5+,8-6+,16-11+/t18-,19+,20-,21-,22+,25+,26+,27?,28-,29+/m0/s1
SMILES C\1=C/[C@@H](OCC/C(=C/C(=O)OC[C@@]23[C@@]4([C@@H](OC(=O)/C=C1)C[C@H]([C@@]14CO1)O[C@H]3C=C([C@@H]1[C@H]2O1)C)C)/C)[C@H](C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiNectriaceaeCylindrocarpon sp. PF-60 Ref.
zoom in