input word = C00034320

Metabolite InformationStructural formula
Name Tomoeone D
(+)-Tomoeone D
Formula C30H44O6
Mw 500.31378914
CAS RN 1065480-65-0
C_ID C00034320 ,
InChIKey KQTPSADZOFBZMJ-VXPOMKHLNA-N
InChICode InChI=1S/C30H44O6/c1-17(2)9-13-29(14-10-18(3)4)24(32)22(23(31)19(5)6)25(33)30(26(29)34)15-21-20(28(8,36)16-30)11-12-27(21,7)35/h9-10,19-21,32,35-36H,11-16H2,1-8H3/t20-,21+,27-,28+,30+/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(C)C)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