input word = C00043367

Metabolite InformationStructural formula
Name Certonardosterol A4
Formula C27H46O6
Mw 466.3294392
CAS RN 781646-86-4
C_ID C00043367 ,
InChIKey CGVAZDBZAZTTNH-LWZTYCQZNA-N
InChICode InChI=1S/C27H46O6/c1-14(16(3)28)6-7-15(2)17-12-19(30)24-25(17,4)11-9-21-26(5)10-8-18(29)23(32)22(26)20(31)13-27(21,24)33/h6-7,14-24,28-33H,8-13H2,1-5H3/b7-6+/t14-,15+,16-,17-,18+,19-,20+,21-,22+,23+,24-,25-,26-,27+/m1/s1
SMILES C1[C@H]2[C@]([C@H]3[C@](C1)([C@H](C[C@H]3O)[C@@H](C)/C=C/[C@H]([C@@H](C)O)C)C)(C[C@@H]([C@@H]1[C@@]2(CC[C@@H]([C@@H]1O)O)C)O)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),1654