input word = C00043922

Metabolite InformationStructural formula
Name Sigmosceptrellin B
Formula C24H40O4
Mw 392.29265977
CAS RN 102917-92-0
C_ID C00043922 ,
InChIKey SQNNYRWDFNZPBJ-HTXGDUTQNA-N
InChICode InChI=1S/C24H40O4/c1-16-8-7-9-20-23(16,5)13-10-17(2)24(20,6)15-14-22(4)12-11-19(27-28-22)18(3)21(25)26/h17-20H,1,7-15H2,2-6H3,(H,25,26)/t17-,18+,19-,20+,22-,23+,24+/m0/s1
SMILES C=C1CCC[C@H]2[C@](C)(CC[C@]3(C)CC[C@@H]([C@@H](C)C(=O)O)OO3)[C@@H](C)CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Diacarnus erythraeanus Ref.
--Diacarnus erythraenus Ref.
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