input word = C00043352

Metabolite InformationStructural formula
Name Caseamembrin B
(+)-Caseamembrin B
Formula C28H42O7
Mw 490.2930537
CAS RN 664351-46-6
C_ID C00043352 ,
InChIKey RGZKHYXCYJSLDP-CYOVSIRVNA-N
InChICode InChI=1S/C28H42O7/c1-9-16(3)11-12-27(7)18(5)13-23(30)28-21(25(32-8)35-26(28)33-19(6)29)14-20(15-22(27)28)34-24(31)17(4)10-2/h9,14,17-18,20,22-23,25-26,30H,1,3,10-13,15H2,2,4-8H3/t17-,18-,20+,22+,23+,25+,26-,27-,28+/m0/s1
SMILES C=CC(=C)CC[C@@]1(C)[C@@H](C)C[C@@H](O)C23C(=C[C@@H](OC(=O)C(C)CC)C[C@@H]21)[C@H](OC)O[C@@H]3OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSamydaceaeCasearia membranacea Ref.
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