input word = C00053744

Metabolite InformationStructural formula
Name Rhodiolinin
Formula C25H20O10
Mw 480.10564686
CAS RN 86831-53-0
C_ID C00053744
InChIKey POVCYOFRCMBMKD-XMSQKQJNSA-N
InChICode InChI=1S/C25H20O10/c1-32-16-8-12(4-7-14(16)28)22-18(10-26)34-24-17(33-22)9-15(29)19-20(30)21(31)23(35-25(19)24)11-2-5-13(27)6-3-11/h2-9,18,22,26-29,31H,10H2,1H3/t18-,22-/m1/s1
SMILES OC1=CC=C(C2=C(O)C(C(C(O)=CC3=C4O[C@H](CO)[C@@H](C5=CC=C(O)C(OC)=C5)O3)=C4O2)=O)C=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCrassulaceaeRhodiola rosea Ref.
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