input word = C00062589

Metabolite InformationStructural formula
Name Neomangiferin
Formula C25H28O16
Mw 584.13773485
CAS RN 64809-67-2
C_ID C00062589
InChIKey VUWOVGXVRYBSGI-IRXABLMPSA-N
InChICode InChI=1S/C25H28O16/c26-4-12-17(31)20(34)22(36)24(39-12)14-8(29)3-11-15(19(14)33)16(30)6-1-10(7(28)2-9(6)38-11)40-25-23(37)21(35)18(32)13(5-27)41-25/h1-3,12-13,17-18,20-29,31-37H,4-5H2/t12-,13-,17-,18-,20+,21+,22-,23-,24+,25-/m1/s1
SMILES O=c1c2cc(OC3OC(CO)C(O)C(O)C3O)c(O)cc2oc2cc(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaePhellodendron amurense Ref.
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OrganismPhellodendron amurense
Referencehttps://doi.org/10.1002/jssc.201300794