input word = C00025542

Metabolite InformationStructural formula
Name Phalloine
Formula C35H48N8O10S
Mw 772.32141054
CAS RN 550-93-6
C_ID C00025542 ,
InChIKey VVAHMTWEOWYEHQ-UHFFFAOYNA-N
InChICode InChI=1S/C35H48N8O10S/c1-15-27(46)38-22-11-20-19-8-6-7-9-21(19)41-33(20)54-14-24(34(52)43-13-18(45)10-25(43)31(50)37-15)40-32(51)26(17(3)44)42-28(47)16(2)36-30(49)23(39-29(22)48)12-35(4,5)53/h6-9,15-18,22-26,41,44-45,53H,10-14H2,1-5H3,(H,36,49)(H,37,50)(H,38,46)(H,39,48)(H,40,51)(H,42,47)/t15-,16+,17+,18+,22-,23-,24+,25+,26+/m0/s1
SMILES c1ccc2c(c1)[nH]c1c2C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]3N(C(=O)[C@@H](CS1)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC2=O)CC(C)(C)O)C)[C@@H](C)O)C[C@@H](C3)O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp
Organism
Kingdom Family Species Reference
FungiAmanitaceaeAmanita phalloides Ref.
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