input word = C00043908

Metabolite InformationStructural formula
Name Scalarin
Formula C27H40O5
Mw 444.28757439
CAS RN 41410-58-6
C_ID C00043908 ,
InChIKey VLFJWLVMFJQJEU-NAXSIRJANA-N
InChICode InChI=1S/C27H40O5/c1-15(28)31-20-14-19-25(4)12-7-11-24(2,3)17(25)10-13-26(19,5)18-9-8-16-21(27(18,20)6)23(30)32-22(16)29/h8,17-21,23,30H,7,9-14H2,1-6H3/t17-,18-,19+,20-,21+,23+,25-,26+,27-/m0/s1
SMILES CC(=O)O[C@H]1C[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)[C@@H]2CC=C3C(=O)O[C@@H](O)C3[C@@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Hyrtios erectus Ref.
--Spongia matamata Ref.
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OrganismSpongia matamata
ReferenceLu,J.Nat.Prod.,60,(1997),195