input word = C00043370

Metabolite InformationStructural formula
Name Certonardosterol B4
Formula C28H50O6
Mw 482.36073933
CAS RN 781646-87-5
C_ID C00043370 ,
InChIKey UIFHHMHOQPQDQO-ZXGRIAFRNA-N
InChICode InChI=1S/C28H50O6/c1-15(2)28(34,14-29)11-6-16(3)19-13-22(32)23-17-12-21(31)24-25(33)20(30)8-10-26(24,4)18(17)7-9-27(19,23)5/h15-25,29-34H,6-14H2,1-5H3/t16-,17-,18+,19-,20+,21+,22-,23-,24+,25+,26-,27-,28-/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@@](CO)(C(C)C)O)C)C[C@@H]([C@@H]1[C@@]2(CC[C@@H]([C@@H]1O)O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Certonardoa semiregularis Ref.
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