input word = C00046269

Metabolite InformationStructural formula
Name Pandangolide 4
(-)-Pandangolide 4
Formula C24H38O8S
Mw 486.22873892
CAS RN 341520-55-6
C_ID C00046269 ,
InChIKey NUPJXSWNOKBNII-UHFFFAOYNA-N
InChICode InChI=1S/C24H38O8S/c1-15-9-5-3-7-11-17(25)23(29)19(13-21(27)31-15)33-20-14-22(28)32-16(2)10-6-4-8-12-18(26)24(20)30/h15-20,25-26H,3-14H2,1-2H3/t15-,16-,17+,18+,19-,20-/m1/s1
SMILES C1C[C@@H](C(=O)[C@@H](CC(=O)O[C@@H](CCC1)C)S[C@@H]1CC(=O)O[C@@H](CCCCC[C@@H](C1=O)O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Callyspongia aerizusa Ref.
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OrganismCallyspongia aerizusa
ReferenceJadulco,J.Nat.Prod.,64,(2001),527