input word = C00049478

Metabolite InformationStructural formula
Name Longithorone I
Formula C42H48O5
Mw 632.35017464
CAS RN 190838-01-8
C_ID C00049478 ,
InChIKey FZUYTKYTIIHKED-HLIQFZKFNA-N
InChICode InChI=1S/C42H46O5/c1-27-8-5-9-29(3)17-34-22-38(44)23-35(41(34)47)21-37-20-31-12-6-10-28(2)16-33-25-39(45)32(24-40(33)46)14-13-30(4)18-36(19-31)42(37,26-43)15-7-11-27/h7,9-11,13,15,19,22-26,36-37H,5-6,8,12,14,16-18,20-21H2,1-4H3/b15-7+,27-11+,28-10-,29-9-,30-13+/t36-,37+,42-/m1/s1
SMILES C12=CC(=O)C=C(C1=O)C[C@H]1[C@@](/C=C/C=C(\C)/CC/C=C(\C2)/C)([C@H]2C=C(C1)CC/C=C(/C)\CC1=CC(=O)C(=CC1=O)C/C=C(/C2)\C)C=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaPolyclinidaeAplidium longithorax Ref.
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