input word = C00049466

Metabolite InformationStructural formula
Name Longithorol A
(+)-Longithorol A
Formula C42H52O6
Mw 652.37638939
CAS RN 245738-14-1
C_ID C00049466 ,
InChIKey SUTFORWDNUIXFT-QCPUCJHONA-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+/m0/s1
SMILES c12c(c(cc(c1)O)C[C@H]1[C@@](CC/C=C(/CC[C@@H]2C(=C)C)\C)([C@@H]2C=C(C1)CC/C=C(/C)\Cc1cc(c(cc1O)[C@H](/C=C(/C2)\C)O)O)C=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaPolyclinidaeAplidium longithorax Ref.
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OrganismAplidium longithorax
ReferenceFu,J.Nat.Prod.,62,(1999),1306