input word = C00034324

Metabolite InformationStructural formula
Name Tomoeone H
(+)-Tomoeone H
Formula C31H46O6
Mw 514.3294392
CAS RN 1065480-69-4
C_ID C00034324 ,
InChIKey GSBKHIDNJGPPFQ-GGSCXGOMNA-N
InChICode InChI=1S/C31H46O6/c1-9-20(6)24(32)23-25(33)30(14-10-18(2)3,15-11-19(4)5)27(35)31(26(23)34)16-22-21(29(8,37)17-31)12-13-28(22,7)36/h10-11,20-22,33,36-37H,9,12-17H2,1-8H3/t20-,21-,22+,28-,29+,31+/m1/s1
SMILES C1(C(=C(C(=O)[C@]2(C1=O)C[C@H]1[C@H]([C@](C2)(O)C)CC[C@]1(O)C)C(=O)[C@H](C)CC)O)(CC=C(C)C)CC=C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHypericaceaeHypericum ascyron Ref.
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OrganismHypericum ascyron
ReferenceHashida,Phytochem.,69,(2008),2225