input word = C00001002

Metabolite InformationStructural formula
Name Silandrin
Formula C25H22O9
Mw 466.1263823
CAS RN 70815-32-6
C_ID C00001002 ,
InChIKey CRPGUMMYQABYES-UETBXFEWNA-N
InChICode InChI=1S/C25H22O9/c1-31-20-7-13(2-4-15(20)28)25-23(11-26)33-21-6-12(3-5-18(21)34-25)19-10-17(30)24-16(29)8-14(27)9-22(24)32-19/h2-9,19,23,25-29H,10-11H2,1H3/t19-,23+,25+/m0/s1
SMILES c1(cc2c(c(c1)O)C(=O)C[C@H](O2)c1ccc2c(c1)O[C@@H]([C@H](O2)c1cc(c(cc1)O)OC)CO)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSilybum marianum Ref.
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OrganismSilybum marianum
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter36