input word = C00049476

Metabolite InformationStructural formula
Name Longithorone G
Formula C42H48O5
Mw 632.35017464
CAS RN 190913-26-9
C_ID C00049476 ,
InChIKey IQYUYMLTDIXDMM-GKANFHPJNA-N
InChICode InChI=1S/C42H48O5/c1-26(2)37-14-12-27(3)9-7-15-42(25-43)34-17-29(5)11-13-31-22-40(46)32(23-39(31)45)16-28(4)8-6-10-30(18-34)19-35(42)20-33-21-36(44)24-38(37)41(33)47/h8-9,11,18,21-25,34-35,37H,1,6-7,10,12-17,19-20H2,2-5H3/b27-9+,28-8-,29-11+/t34-,35+,37-,42+/m0/s1
SMILES C12=CC(=O)C=C(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)\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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