input word = C00049467

Metabolite InformationStructural formula
Name Longithorol B
(+)-Longithorol B
Formula C42H52O6
Mw 652.37638939
CAS RN 245738-15-2
C_ID C00049467 ,
InChIKey SUTFORWDNUIXFT-WMRPKDOQNA-N
InChICode InChI=1S/C42H52O6/c1-25(2)35-12-11-26(3)9-7-13-42(24-43)32-15-28(5)16-39(46)37-23-38(45)30(21-40(37)47)14-27(4)8-6-10-29(17-32)18-33(42)19-31-20-34(44)22-36(35)41(31)48/h8-9,16-17,20-24,32-33,35,39,44-48H,1,6-7,10-15,18-19H2,2-5H3/b26-9+,27-8-,28-16+/t32-,33+,35-,39+,42+/m1/s1
SMILES C=C(C)C1CC/C(C)=C/CC[C@@]2(C=O)C3C=C(CC/C=C(/C)Cc4cc(O)c(cc4O)[C@@H](O)/C=C(C)C3)C[C@H]2Cc2cc(O)cc1c2O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaPolyclinidaeAplidium longithorax Ref.
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