input word = C00002382

Metabolite InformationStructural formula
Name Isobutrin
Formula C27H32O15
Mw 596.17412036
CAS RN 536-01-6
C_ID C00002382 ,
InChIKey XOTWNDIAAITUKR-FVRIFCRFNA-N
InChICode InChI=1S/C27H32O15/c28-9-18-20(33)22(35)24(37)26(41-18)39-12-3-4-13(16(32)8-12)14(30)5-1-11-2-6-15(31)17(7-11)40-27-25(38)23(36)21(34)19(10-29)42-27/h1-8,18-29,31-38H,9-10H2/b5-1+/t18-,19+,20+,21+,22-,23+,24-,25+,26+,27+/m0/s1
SMILES c1(cc(c(cc1)C(=O)/C=C/c1cc(c(cc1)O)O[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O)O)O[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeButea frondosa Ref.
PlantaeFabaceaeButea monosperma Ref.
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