input word = C00057738

Metabolite InformationStructural formula
Name Silyamandin
Formula C25H22O11
Mw 498.11621155
CAS RN 1009565-36-9
C_ID C00057738
InChIKey BVNNAIYNHUXFCR-QRVGLHCZSA-N
InChICode InChI=1S/C25H22O11/c1-34-16-4-9(2-3-14(16)27)18-12(24(31)32)7-11(19-13(18)8-35-25(19)33)23-22(30)21(29)20-15(28)5-10(26)6-17(20)36-23/h2-7,12-13,18-19,22-23,26-28,30H,8H2,1H3,(H,31,32)/t12-,13-,18+,19+,22+,23-/m1/s1
SMILES O=C1[C@H](O)[C@](C2=C[C@@H](C(O)=O)[C@@](C3=CC=C(O)C(OC)=C3)([H])[C@]4([H])[C@@]2([H])C(OC4)=O)([H])OC5=CC(O)=CC(O)=C51
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSilybum marianum Ref.
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