input word = C00050020

Metabolite InformationStructural formula
Name Calicoferol I
(+)-Calicoferol I
Formula C27H42O3
Mw 414.31339521
CAS RN 214962-76-2
C_ID C00050020 ,
InChIKey USFQLAVWHQCNDG-WTFDIBBLNA-N
InChICode InChI=1S/C27H42O3/c1-17(2)7-6-8-19(4)26-25(30)16-23-22(24(29)13-14-27(23,26)5)12-10-20-15-21(28)11-9-18(20)3/h9,11,15,17,19,22-23,25-26,28,30H,6-8,10,12-14,16H2,1-5H3/t19-,22+,23+,25+,26+,27+/m1/s1
SMILES C1(=O)CC[C@]2([C@H]([C@@H]1CCc1cc(ccc1C)O)C[C@@H]([C@@H]2[C@@H](CCCC(C)C)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Muricella sp. Ref.
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OrganismMuricella sp.
ReferenceSeo,J.Nat.Prod.,61,(1998),1441