input word = C00031654

Metabolite InformationStructural formula
Name Caseamembrol B
(-)-Caseamembrol B
Formula C29H42O9
Mw 534.28288294
CAS RN 723302-02-1
C_ID C00031654 ,
InChIKey FVXRSGIAXHNGNZ-DTAPWGMNNA-N
InChICode InChI=1S/C29H42O9/c1-9-15(3)22(32)14-28(8)17(5)11-24(33)29-21(26(35-18(6)30)38-27(29)36-19(7)31)12-20(13-23(28)29)37-25(34)16(4)10-2/h9,12,16-17,20,22-24,26-27,32-33H,1,3,10-11,13-14H2,2,4-8H3/t16-,17+,20+,22+,23-,24-,26-,27+,28+,29+/m1/s1
SMILES C=CC(=C)[C@@H](O)C[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(C)=O)O[C@@H]3OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSamydaceaeCasearia membranacea Ref.
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