input word = C00045720

Metabolite InformationStructural formula
Name Casearlucin B
(+)-Casearlucin B
Formula C27H38O8
Mw 490.25666819
CAS RN 405507-80-4
C_ID C00045720 ,
InChIKey BZVDIOLNPIHYMD-YMOABHPCNA-N
InChICode InChI=1S/C27H38O8/c1-9-15(2)10-11-26(7)16(3)12-23(31-8)27-21(13-20(14-22(26)27)32-17(4)28)24(33-18(5)29)35-25(27)34-19(6)30/h9,13,16,20,22-25H,1-2,10-12,14H2,3-8H3/t16-,20-,22+,23+,24+,25-,26-,27+/m0/s1
SMILES C1[C@@H]([C@@]([C@@H]2[C@@]3([C@@H]1OC)C(=C[C@@H](C2)OC(=O)C)[C@@H](O[C@@H]3OC(=O)C)OC(=O)C)(CCC(=C)C=C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSamydaceaeCasearia lucida Ref.
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OrganismCasearia lucida
ReferencePrakash,J.Nat.Prod.,65,(2002),100