input word = C00000505

Metabolite InformationStructural formula
Name Longithorone A
Formula C42H46O5
Mw 630.33452458
CAS RN 159736-39-7
C_ID C00000505 ,
InChIKey XAOPIXYTATVACB-KAWGODMENA-N
InChICode InChI=1S/C42H46O5/c1-25-6-4-8-28-15-33(14-27(3)10-11-30-19-38(45)31(12-25)20-37(30)44)41(24-43)22-35-17-29-9-5-7-26(2)13-32-21-39(46)42(35,23-34(41)16-28)36(18-29)40(32)47/h6-7,10,15,17,19-21,24,33-36H,4-5,8-9,11-14,16,18,22-23H2,1-3H3/b25-6-,26-7-,27-10+/t33-,34+,35+,36-,41-,42-/m1/s1
SMILES C/C1=C/CCC2=C[C@@H](C/C(C)=C/CC3=CC(=O)C(=CC3=O)C1)[C@]1(C=O)C[C@@H]3C=C4CC/C=C(/C)CC5=CC(=O)[C@@]3(C[C@@H]1C2)[C@H](C4)C5=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaPolyclinidaeAplidium longithorax Ref.
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OrganismAplidium longithorax
ReferenceHossain,J.Org.Chem,62,(1997),3810