input word = C00049394

Metabolite InformationStructural formula
Name Palythoalone B
(+)-Palythoalone B
Formula C27H44O8
Mw 496.30361838
CAS RN 220757-97-1
C_ID C00049394 ,
InChIKey AORHJTDUMZALQE-RQNBHXQFNA-N
InChICode InChI=1S/C27H44O8/c1-15(14-28)5-6-21(31)25(4,33)20-8-10-26(34)17-11-22(32)27(35)13-19(30)18(29)12-24(27,3)16(17)7-9-23(20,26)2/h11,15-16,18-21,28-31,33-35H,5-10,12-14H2,1-4H3/t15-,16+,18+,19-,20+,21-,23-,24-,25-,26-,27-/m1/s1
SMILES C[C@@H](CO)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@]4(O)C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaZoanthidaePalythoa australiae Ref.
zoom in