input word = C00013565

Metabolite InformationStructural formula
Name Isocalycopterone
(2R,7aS,11R,13S,14aR)-rel-(-)-2,3,12,13-Tetrahydro-9-hydroxy-6,7,7a,8,13-pentamethoxy-2,11-diphenyl-11H-furo[2,3-f:4,5-i']bis[1]benzopyran-5(7aH)-one
Formula C35H34O10
Mw 614.21519731
CAS RN 156368-83-1
C_ID C00013565 ,
InChIKey NEODDNNVJXVDIT-UHFFFAOYNA-N
InChICode InChI=1S/C35H34O10/c1-38-24-18-23(20-14-10-7-11-15-20)43-30-25(24)29-26(31(39-2)28(30)37)34(42-5)33(41-4)32(40-3)27(36)21-16-17-22(44-35(21,34)45-29)19-12-8-6-9-13-19/h6-16,22-24,37H,17-18H2,1-5H3/t22-,23+,24+,34+,35+/m1/s1
SMILES C1(=C(C(=O)C2=CC[C@@H](O[C@]32[C@@]1(c1c(O3)c2c(c(c1OC)O)O[C@@H](C[C@@H]2OC)c1ccccc1)OC)c1ccccc1)OC)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCombretaceaeCalycopteris floribunda Ref.
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