input word = C00050019

Metabolite InformationStructural formula
Name Calicoferol H
Formula C26H40O2
Mw 384.30283052
CAS RN 214962-75-1
C_ID C00050019 ,
InChIKey YRVRPIWMDMUJBK-IOPIPJBONA-N
InChICode InChI=1S/C26H40O2/c1-17(2)6-7-19(4)23-12-13-24-22(25(28)14-15-26(23,24)5)11-9-20-16-21(27)10-8-18(20)3/h6-8,10,16-17,19,22-25,27-28H,9,11-15H2,1-5H3/b7-6+/t19-,22-,23+,24-,25+,26+/m0/s1
SMILES [C@H]1(CC[C@]2([C@H]([C@@H]1CCc1cc(ccc1C)O)CC[C@@H]2[C@H](/C=C/C(C)C)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Muricella sp. Ref.
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