input word = C00000616

Metabolite InformationStructural formula
Name Scapaniapyrone A
Formula C17H10O8
Mw 342.0375673
CAS RN 123364-09-0
C_ID C00000616 ,
InChIKey IGGWJZYKGXVCQF-UHFFFAOYSA-N
InChICode InChI=1S/C17H10O8/c18-12-5-7-3-8(15(20)21)4-11(10(7)6-13(12)19)9-1-2-14(16(22)23)25-17(9)24/h1-6,18-19H,(H,20,21)(H,22,23)
SMILES O=C(O)c1cc(-c2ccc(C(=O)O)oc2=O)c2cc(O)c(O)cc2c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeJamesoniellaceaeJamesoniella autumnalis Ref.
PlantaeScapaniaceaeScapania undulata Ref.
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