input word = C00001001

Metabolite InformationStructural formula
Name Sanggenon D
Formula C40H36O12
Mw 708.22067662
CAS RN 81422-93-7
C_ID C00001001 ,
InChIKey SUOXGDJCEWTZIZ-UHFFFAOYNA-N
InChICode InChI=1S/C40H36O12/c1-18(2)10-11-39-38(49)35-32(52-40(39,50)27-9-6-22(43)16-31(27)51-39)17-30(46)34(37(35)48)26-13-19(3)12-25(23-7-4-20(41)14-28(23)44)33(26)36(47)24-8-5-21(42)15-29(24)45/h4-10,13-17,25-26,33,41-46,48,50H,11-12H2,1-3H3/t25-,26-,33-,39-,40-/m1/s1
SMILES c1(c(cc(cc1)O)O)C(=O)[C@H]1[C@@H](C=C(C[C@@H]1c1ccc(cc1O)O)C)c1c(cc2c(c1O)C(=O)[C@@]1([C@](O2)(c2c(O1)cc(cc2)O)O)CC=C(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMoraceaeMorus alba Ref.
PlantaeMoraceaeMorus cathayana Ref.
PlantaeMoraceaeMorus mongolica Ref.
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OrganismMorus alba
ReferenceSun, et al., Brief Handbook of Natural Active Compounds, Medicinal Science and Technology Press of China, Beijing, (1998).

Chen, et al., Lexicon of Active Componentsin in Plants, Vol1, Medicinal Science and Technology Press of China, Beijing, (2001).

Shi, et al., JNP, 64, (2001), 181.

Calixto, et al., Planta Med, 69, (2003), 973