input word = C00003017

Metabolite InformationStructural formula
Name Sarothralin
Formula C31H34O8
Mw 534.22536806
CAS RN 96624-40-7
C_ID C00003017 ,
InChIKey FWISFRPDKDPZRN-UHFFFAOYSA-N
InChICode InChI=1S/C31H34O8/c1-16(2)12-13-39-22-15-21(32)19(27(35)23(22)26(34)18-10-8-7-9-11-18)14-20-28(36)24(25(33)17(3)4)30(38)31(5,6)29(20)37/h7-12,15,17,32,35,37-38H,13-14H2,1-6H3
SMILES CC(C)=CCOc1cc(O)c(CC2=C(O)C(C)(C)C(O)=C(C(=O)C(C)C)C2=O)c(O)c1C(=O)c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHypericaceaeHypericum japonicum Ref.
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