input word = C00011334

Metabolite InformationStructural formula
Name Cytochalasin J
Deacetylcytochalasin H
Kodocytochalasin 2
Paspalin P-2
Formula C28H37NO4
Mw 451.27225868
CAS RN 53760-20-6
C_ID C00011334 ,
InChIKey UKQNIEMKORIOQM-FYEAGKQXNA-N
InChICode InChI=1S/C28H37NO4/c1-17-9-8-12-21-25(31)19(3)18(2)24-22(15-20-10-6-5-7-11-20)29-26(32)28(21,24)23(30)13-14-27(4,33)16-17/h5-8,10-14,17-18,21-25,30-31,33H,3,9,15-16H2,1-2,4H3,(H,29,32)/b12-8+,14-13+/t17-,18+,21-,22-,23+,24+,25+,27-,28-/m0/s1
SMILES c1cc(ccc1)C[C@@H]1NC(=O)[C@@]23[C@@H]1[C@@H](C(=C)[C@H]([C@@H]2/C=C/C[C@@H](C[C@](/C=C/[C@H]3O)(O)C)C)O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Ala L-Asp L-Phe L-His
Organism
Kingdom Family Species Reference
FungiValsaceaePhomopsis spp. Ref.
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