input word = C00026712

Metabolite InformationStructural formula
Name Thiersindole B
(+)-Thiersindole B
Formula C28H39NO
Mw 405.30316487
CAS RN 610317-21-0
C_ID C00026712 ,
InChIKey YPVANRVLBISMCS-QJJYWEONNA-N
InChICode InChI=1S/C28H39NO/c1-18(2)22-13-14-27(5)25(30)11-10-24-26(4,19(3)12-15-28(22,24)27)16-20-17-29-23-9-7-6-8-21(20)23/h6-9,17,19,24-25,29-30H,10-16H2,1-5H3/t19-,24-,25-,26+,27+,28-/m0/s1
SMILES CC(C)=C1CC[C@]2(C)[C@@H](O)CC[C@H]3[C@](C)(Cc4c[nH]c5ccccc45)[C@@H](C)CC[C@]132
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Indole-3 GGPP IPP
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePenicillium thiersii Ref.
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