input word = C00000946

Metabolite InformationStructural formula
Name Butrin
Formula C27H32O15
Mw 596.17412036
CAS RN 492-13-7
C_ID C00000946 ,
InChIKey QVCQYYYTMIZOGK-SKHLYUKXNA-N
InChICode InChI=1S/C27H32O15/c28-8-18-20(32)22(34)24(36)26(41-18)38-11-2-3-12-14(31)7-15(39-16(12)6-11)10-1-4-13(30)17(5-10)40-27-25(37)23(35)21(33)19(9-29)42-27/h1-6,15,18-30,32-37H,7-9H2/t15-,18+,19+,20-,21-,22-,23-,24+,25+,26+,27+/m0/s1
SMILES c1(ccc2c(c1)O[C@@H](CC2=O)c1ccc(c(c1)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.
PlantaeFabaceaeButea superba Ref.
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OrganismButea monosperma
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter36