input word = C00047762

Metabolite InformationStructural formula
Name Biyouyanagin B
Formula C31H38O4
Mw 474.2770097
CAS RN 1174170-62-7
C_ID C00047762 ,
InChIKey HPOOJUSGIAKESV-OBARYKNHNA-N
InChICode InChI=1S/C31H38O4/c1-7-29(6)18-34-28(33)31(29)27(32)26-24-23(20(4)13-11-12-19(2)3)17-16-21(5)25(24)30(26,35-31)22-14-9-8-10-15-22/h7-10,12,14-16,20,23-26H,1,11,13,17-18H2,2-6H3/t20-,23+,24-,25+,26-,29-,30-,31+/m0/s1
SMILES C=C[C@@]1(C)COC(=O)[C@@]12O[C@]1(c3ccccc3)[C@H](C2=O)[C@H]2[C@@H]([C@@H](C)CCC=C(C)C)CC=C(C)[C@H]21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHypericaceaeHypericum chinense Ref.
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OrganismHypericum chinense
ReferenceTanaka,J.Nat.Prod.,72,(2009),1447