input word = C00002829

Metabolite InformationStructural formula
Name Hypericin
Formula C30H16O8
Mw 504.08451749
CAS RN 548-04-9
C_ID C00002829 ,
InChIKey BTXNYTINYBABQR-UHFFFAOYSA-N
InChICode InChI=1S/C30H16O8/c1-7-3-9(31)19-23-15(7)16-8(2)4-10(32)20-24(16)28-26-18(12(34)6-14(36)22(26)30(20)38)17-11(33)5-13(35)21(29(19)37)25(17)27(23)28/h3-6,31-36H,1-2H3
SMILES Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c(=O)c7c(O)cc(C)c8c1c2c(c34)c(c78)c65
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiChaetomiaceaeThielavia subthermophila Ref.
PlantaeHypericaceaeHypericum barbatum Jacq. Ref.
PlantaeHypericaceaeHypericum erectum Ref.
PlantaeHypericaceaeHypericum faberi Ref.
PlantaeHypericaceaeHypericum hirsutum L. Ref.
PlantaeHypericaceaeHypericum linarioides BOSSE Ref.
PlantaeHypericaceaeHypericum maculatum Crantz Ref.
PlantaeHypericaceaeHypericum perforatum Ref.
PlantaeHypericaceaeHypericum rumeliacum BOISS. Ref.
PlantaeHypericaceaeHypericum sampsonii Ref.
PlantaeHypericaceaeHypericum spp. Ref.
PlantaeHypericaceaeHypericum tetrapterum Fries Ref.
PlantaeHypericaceaeHypericum wightianum Ref.
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OrganismHypericum perforatum
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter43