input word = C00018149

Metabolite InformationStructural formula
Name Isororidin E
Formula C29H38O8
Mw 514.25666819
CAS RN 64726-84-7
C_ID C00018149 ,
InChIKey KEEQQEKLEZRLDS-BVMABUJUNA-N
InChICode InChI=1S/C29H38O8/c1-18-9-11-28-16-34-26(32)14-19(2)10-12-33-21(20(3)30)7-5-6-8-25(31)37-22-15-24(36-23(28)13-18)29(17-35-29)27(22,28)4/h5-8,13-14,20-24,30H,9-12,15-17H2,1-4H3/b7-5+,8-6+,19-14+/t20-,21-,22+,23+,24?,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(CC2)C)C)/C)[C@H](C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiNectriaceaeCylindrocarpon sp. PF-60 Ref.
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