input word = C00043874

Metabolite InformationStructural formula
Name Riisein A
(-)-Riisein A
Formula C36H60O10
Mw 652.41864814
CAS RN 297764-84-2
C_ID C00043874 ,
InChIKey HBKVJDPAQCRVEB-NMRFMGIYNA-N
InChICode InChI=1S/C36H60O10/c1-20(18-43-22(3)37)8-7-9-21(2)26-10-11-27-25-16-30(40)36(42)17-24(12-15-35(36,6)28(25)13-14-34(26,27)5)46-33-31(41)32(45-23(4)38)29(39)19-44-33/h20-21,24-33,39-42H,7-19H2,1-6H3/t20-,21-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33+,34-,35-,36+/m1/s1
SMILES C1[C@H]2[C@H]([C@H]3[C@](C1)([C@H](CC3)[C@@H](CCC[C@@H](C)COC(=O)C)C)C)C[C@H]([C@@]1([C@@]2(CC[C@@H](C1)O[C@@H]1OC[C@H]([C@H]([C@@H]1O)OC(=O)C)O)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Carijoa riisei Ref.
zoom in