input word = C00045001

Metabolite InformationStructural formula
Name Peloruside A
Formula C27H48O11
Mw 548.31966238
CAS RN 257939-61-0
C_ID C00045001 ,
InChIKey NETARJWZTMGMRM-OQLLNIDSNA-N
InChICode InChI=1S/C27H48O11/c1-8-16(14-28)9-15(2)19-10-17(34-5)13-22(29)26(3,4)27(33)24(31)21(36-7)12-18(38-27)11-20(35-6)23(30)25(32)37-19/h9,16-24,28-31,33H,8,10-14H2,1-7H3/b15-9+/t16-,17-,18+,19-,20+,21-,22-,23-,24+,27+/m0/s1
SMILES CCC(/C=C(C)C1CC(OC)CC(O)C(C)(C)C2(O)OC(CC(OC)C(O)C(=O)O1)CC(OC)C2O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Mycale hentscheli Ref.
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