input word = C00048748

Metabolite InformationStructural formula
Name Latrunculone B
Formula C22H31NO6S
Mw 437.18720846
CAS RN 1073607-07-4
C_ID C00048748 ,
InChIKey GCLFJDBFHQMHMU-NEPCUZILNA-N
InChICode InChI=1S/C22H31NO6S/c1-14-4-3-5-16(24)8-6-15(2)10-20(25)28-18-11-17(9-7-14)29-22(27,12-18)19-13-30-21(26)23-19/h3-4,10,14,17-19,27H,5-9,11-13H2,1-2H3,(H,23,26)/b4-3+,15-10-/t14-,17-,18-,19+,22-/m1/s1
SMILES C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C/CC(=O)CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala L-Asp
Organism
Kingdom Family Species Reference
--Cacospongia mycofijiensis Ref.
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