input word = C00057574

Metabolite InformationStructural formula
Name Potentillin
Formula C41H28O26
Mw 936.08688107
CAS RN 82262-94-0
C_ID C00057574
InChIKey SWRFKGRMQVLMKA-UHFFFAOYSA-N
InChICode InChI=1S/C41H28O26/c42-13-1-8(2-14(43)24(13)48)36(57)67-41-35-34(65-39(60)11-5-17(46)27(51)31(55)22(11)23-12(40(61)66-35)6-18(47)28(52)32(23)56)33-19(63-41)7-62-37(58)9-3-15(44)25(49)29(53)20(9)21-10(38(59)64-33)4-16(45)26(50)30(21)54/h1-6,19,33-35,41-56H,7H2
SMILES O=C1OC2C(C(OC(C(C=C(O)C(O)=C3O)=C3C(C(O)=C(O)C(O)=C4)=C4C(OC5)=O)=O)C5OC2OC(C6=CC(O)=C(O)C(O)=C6)=O)OC(C7=C(C(O)=C(O)C(O)=C7)C8=C1C=C(O)C(O)=C8O)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeRubus spp. Ref.
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