input word = C00043376

Metabolite InformationStructural formula
Name Certonardosterol E2
Formula C29H52O4
Mw 464.38656015
CAS RN 681240-59-5
C_ID C00043376 ,
InChIKey BKDLTBPGTMXGMR-VVDFZGJNNA-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 C1[C@H]2[C@H]([C@H]3[C@](C1)([C@H](C[C@@H]3O)[C@H](C)CC[C@H](CCO)C(C)C)C)C[C@H]([C@@H]1[C@@]2(CC[C@@H](C1)O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Certonardoa semiregularis Ref.
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OrganismCertonardoa semiregularis
ReferenceWang,J.Nat.Prod.,67,(2004),584