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 Cc1ccc(O)cc1CC[C@@H]1[C@H](O)CC[C@]2(C)[C@@H]([C@H](C)/C=C/C(C)C)CC[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Muricella sp. Ref.
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