input word = C00008271

Metabolite InformationStructural formula
Name Nirurin
Formula C32H40O15
Mw 664.23672061
CAS RN 96253-68-8
C_ID C00008271 ,
InChIKey POYMCXRWXZAMNO-QKPNLIFKNA-N
InChICode InChI=1S/C32H40O15/c1-12(2)4-9-16-22(36)26(40)30(20-17(34)10-18(45-29(16)20)14-5-7-15(33)8-6-14)47-32-28(42)25(39)23(37)19(46-32)11-43-31-27(41)24(38)21(35)13(3)44-31/h4-8,13,18-19,21,23-25,27-28,31-33,35-42H,9-11H2,1-3H3/t13-,18+,19+,21-,23+,24-,25+,27+,28+,31+,32-/m0/s1
SMILES c1(c(c(c2c(c1CC=C(C)C)O[C@H](CC2=O)c1ccc(cc1)O)O[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)C)O)O)O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePhyllanthaceaePhyllanthus niruri Ref.
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