input word = C00047140

Metabolite InformationStructural formula
Name 19-Oxofasciospongine A
Formula C30H45N3O6S
Mw 575.30290692
CAS RN 1121913-36-7
C_ID C00047140 ,
InChIKey KYSKWYJBCHWKSD-JZZJHQMXNA-N
InChICode InChI=1S/C30H45N3O6S/c1-21-10-11-25-26(9-6-14-29(25,2)3)30(21,4)15-12-22(19-39-40(36,37)38)7-5-8-23-17-27(34)33(28(23)35)16-13-24-18-31-20-32-24/h9,17-18,20-22,25H,5-8,10-16,19H2,1-4H3,(H,31,32)(H,36,37,38)/t21-,22-,25-,30-/m0/s1
SMILES [C@@H]1(CC[C@H]2C(=CCCC2(C)C)[C@]1(CC[C@H](CCCC1=CC(=O)N(C1=O)CCc1c[nH]cn1)COS(=O)(=O)O)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Asp L-His
Organism
Kingdom Family Species Reference
--Fasciospongia sp. Ref.
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