input word = C00032608

Metabolite InformationStructural formula
Name 1-Methoxy-3-hydroxy-2-carbomethoxy-9,10-anthraquinone 3-O-beta-primeveroside
Formula C28H30O5
Mw 446.20932407
CAS RN 470704-05-3
C_ID C00032608 ,
InChIKey WGNUXEMGVHKOSU-FUFUMPPTNA-N
InChICode InChI=1S/C28H30O15/c1-38-25-16-12(18(30)10-5-3-4-6-11(10)19(16)31)7-14(17(25)26(37)39-2)42-28-24(36)22(34)21(33)15(43-28)9-41-27-23(35)20(32)13(29)8-40-27/h3-7,13,15,20-24,27-29,32-36H,8-9H2,1-2H3/t13-,15+,20-,21+,22-,23-,24+,27+,28+/m0/s1
SMILES c12c(C(=O)c3c(C1=O)c(c(c(c3)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@@H]1[C@H]([C@H]([C@H](CO1)O)O)O)C(=O)OC)OC)cccc2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeSaprosma scortechinii Ref.
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