input word = C00038710

Metabolite InformationStructural formula
Name Caseanigrescen D
Formula C28H40O8
Mw 504.27231825
CAS RN 925693-22-7
C_ID C00038710 ,
InChIKey OYLJTRVIXSOCPW-DSNVMZHLNA-N
InChICode InChI=1S/C28H40O8/c1-8-10-24(32)35-20-14-21-25(33-18(5)29)36-26(34-19(6)30)28(21)22(15-20)27(7,12-11-16(3)9-2)17(4)13-23(28)31/h9,14,17,20,22-23,25-26,31H,2-3,8,10-13,15H2,1,4-7H3/t17-,20+,22+,23+,25+,26-,27-,28+/m1/s1
SMILES C1[C@H]([C@]([C@H]2[C@]3([C@H]1O)C(=C[C@@H](C2)OC(=O)CCC)[C@H](O[C@H]3OC(=O)C)OC(=O)C)(CCC(=C)C=C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSamydaceaeCasearia nigrescens Ref.
zoom in