input word = C00033344

Metabolite InformationStructural formula
Name Rubinaphthin D
(-)-Rubinaphthin D
Formula C28H36O17
Mw 644.19524973
CAS RN 448962-21-8
C_ID C00033344 ,
InChIKey WZGSXPQLFKLLAL-BWSCAZCCNA-N
InChICode InChI=1S/C28H36O17/c1-9(25(38)39)13(30)6-12-16(26(40)41)17(31)10-4-2-3-5-11(10)24(12)45-28-23(37)21(35)19(33)15(44-28)8-42-27-22(36)20(34)18(32)14(7-29)43-27/h2-5,9,13-15,18-23,27-37H,6-8H2,1H3,(H,38,39)(H,40,41)/t9-,13-,14-,15-,18-,19-,20+,21+,22-,23-,27-,28+/m1/s1
SMILES Oc1c2c(c(c(c1C(=O)O)C[C@H]([C@H](C(=O)O)C)O)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]([C@H](O1)CO)O)O)O)cccc2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeRubia yunnanensis Ref.
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