input word = C00039009

Metabolite InformationStructural formula
Name Diaulusterol B
Formula C27H42O4
Mw 430.30830983
CAS RN 105317-87-1
C_ID C00039009 ,
InChIKey NKTPHQGGTBBIOB-YMPBAOLMNA-N
InChICode InChI=1S/C27H42O4/c1-16(7-6-11-25(2,3)31)18-8-9-19-17-13-22(28)21-14-23(29)24(30)15-27(21,5)20(17)10-12-26(18,19)4/h13-14,16,18-20,23-24,29-31H,6-12,15H2,1-5H3/t16-,18-,19+,20+,23+,24-,26-,27-/m1/s1
SMILES [C@@H]1([C@H](C=C2[C@](C1)([C@@H]1C(=CC2=O)[C@H]2[C@](CC1)([C@H](CC2)[C@@H](CCCC(O)(C)C)C)C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Synoicum adareanum Ref.
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