input word = C00002855

Metabolite InformationStructural formula
Name Pseudohypericin
Formula C30H16O9
Mw 520.07943211
CAS RN 55954-61-5
C_ID C00002855 ,
InChIKey YXBUQQDFTYOHQI-UHFFFAOYSA-N
InChICode InChI=1S/C30H16O9/c1-7-2-9(32)19-23-15(7)16-8(6-31)3-10(33)20-24(16)28-26-18(12(35)5-14(37)22(26)30(20)39)17-11(34)4-13(36)21(29(19)38)25(17)27(23)28/h2-5,31-37H,6H2,1H3
SMILES c1c(c2c3c(c1O)C(=O)c1c4c3c3c5c(c(cc(c25)O)O)C(=O)c2c3c(c4c(cc1O)C)c(cc2O)CO)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHypericaceaeHypericum barbatum Jacq. Ref.
PlantaeHypericaceaeHypericum maculatum Crantz Ref.
PlantaeHypericaceaeHypericum perforatum Ref.
PlantaeHypericaceaeHypericum rumeliacum BOISS. Ref.
PlantaeHypericaceaeHypericum tetrapterum Fries Ref.
PlantaeHypericaceaeHypericum triquetrifolium Ref.
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OrganismHypericum perforatum
ReferenceSouthwell,Phytochem.,56,(2001),437