input word = C00041861

Metabolite InformationStructural formula
Name Secaubrytriol
(+)-Secaubrytriol
Formula C30H50O5
Mw 490.36582471
CAS RN 925932-10-1
C_ID C00041861 ,
InChIKey NFSDEMPRAKPPFK-ZZBCUOTONA-N
InChICode InChI=1S/C30H50O5/c1-19(7-10-24(32)26(3,4)35)21-11-13-28(6)23-9-8-22(20(2)17-31)29(14-12-25(33)34)18-30(23,29)16-15-27(21,28)5/h19,21-24,31-32,35H,2,7-18H2,1,3-6H3,(H,33,34)/t19-,21-,22+,23+,24-,27-,28+,29-,30+/m1/s1
SMILES C=C(CO)[C@@H]1CC[C@@H]2[C@]3(CC[C@]4(C)[C@@H]([C@H](C)CC[C@@H](O)C(C)(C)O)CC[C@@]24C)C[C@]13CCC(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeGardenia aubryi Ref.
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