input word = C00011349

Metabolite InformationStructural formula
Name Cytochalasin Rpho
Formula C28H39NO5
Mw 469.28282336
CAS RN 121964-47-4
C_ID C00011349 ,
InChIKey KPQRGEZMOJERCR-PEMTYMTINA-N
InChICode InChI=1S/C28H39NO5/c1-17-9-8-12-20-24(31)27(4,34)18(2)23-21(15-19-10-6-5-7-11-19)29-25(32)28(20,23)22(30)13-14-26(3,33)16-17/h5-8,10-14,17-18,20-24,30-31,33-34H,9,15-16H2,1-4H3,(H,29,32)/b12-8+,14-13+/t17-,18-,20-,21-,22+,23-,24-,26-,27+,28+/m0/s1
SMILES c1cc(ccc1)C[C@@H]1NC(=O)[C@]23[C@H]1[C@@H]([C@@]([C@H]([C@@H]2/C=C/C[C@@H](C[C@@](/C=C/[C@H]3O)(C)O)C)O)(C)O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Asp L-Phe IPP L-His
Organism
Kingdom Family Species Reference
FungiValsaceaePhomopsis sp. Ref.
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