input word = C00034651

Metabolite InformationStructural formula
Name Protopseudohypericin
Formula C30H18O9
Mw 522.09508217
CAS RN 54328-09-5
C_ID C00034651 ,
InChIKey QFAPJWSQKUFHAP-UHFFFAOYSA-N
InChICode InChI=1S/C30H18O9/c1-9-2-11-19(13(32)3-9)29(38)25-17(36)6-15(34)23-24-16(35)7-18(37)26-28(24)22(21(11)27(23)25)12-4-10(8-31)5-14(33)20(12)30(26)39/h2-7,31-37H,8H2,1H3
SMILES c12c3c(c(cc1O)O)c1c4c(c3c3c(C2=O)c(cc(c3)C)O)c2c(C(=O)c4c(cc1O)O)c(cc(c2)CO)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHypericaceaeHypericum perforatum Ref.
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