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 C=CC(=C)CC[C@]1(C)[C@H](C)C[C@H](O)C23C(=C[C@H](OC(=O)CCC)C[C@H]21)[C@@H](OC(C)=O)O[C@H]3OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSamydaceaeCasearia nigrescens Ref.
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