input word = C00030748

Metabolite InformationStructural formula
Name Metachromin S
Formula C26H39NO3
Mw 413.29299412
CAS RN 1007858-94-7
C_ID C00030748 ,
InChIKey YBVKKXUZRPNHQO-RRPQUICINA-N
InChICode InChI=1S/C26H39NO3/c1-17(2)12-15-27-22-16-23(28)25(30)21(24(22)29)10-9-18(3)11-14-26(6)13-7-8-19(4)20(26)5/h8-9,16-17,20,27,30H,7,10-15H2,1-6H3/b18-9+/t20-,26-/m1/s1
SMILES CC1=CCC[C@](C)(CC/C(C)=C/CC2=C(O)C(=O)C=C(NCCC(C)C)C2=O)[C@@H]1C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Arg
Organism
Kingdom Family Species Reference
--Spongia sp. Ref.
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