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@@H]1(CC[C@]2([C@H]([C@@]1(CC[C@@]1(C)OO[C@@H](CC1)[C@H](C(=O)O)C)C)CCCC2=C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Diacarnus erythraeanus Ref.
--Diacarnus erythraenus Ref.
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OrganismDiacarnus erythraeanus
ReferenceSayed,J.Nat.Prod.,64,(2001),522