input word = C00043373

Metabolite InformationStructural formula
Name Certonardosterol D3
Formula C29H52O4
Mw 464.38656015
CAS RN 681240-55-1
C_ID C00043373 ,
InChIKey BKDLTBPGTMXGMR-GQRFXGTPNA-N
InChICode InChI=1S/C29H52O4/c1-17(2)19(10-13-30)7-6-18(3)23-16-26(33)27-21-15-25(32)24-14-20(31)8-11-28(24,4)22(21)9-12-29(23,27)5/h17-27,30-33H,6-16H2,1-5H3/t18-,19-,20+,21-,22+,23-,24-,25+,26-,27-,28-,29-/m1/s1
SMILES CC(C)[C@@H](CCO)CC[C@@H](C)[C@H]1C[C@@H](O)[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Certonardoa semiregularis Ref.
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