input word = C00045289

Metabolite InformationStructural formula
Name Dantaxusin C
Formula C37H44O12
Mw 680.28327687
CAS RN 322471-49-8
C_ID C00045289 ,
InChIKey MOYWWZOOLCCTFX-XRYBAJIBNA-N
InChICode InChI=1S/C37H44O12/c1-19-26(48-29(43)16-15-24-13-11-10-12-14-24)18-28(44-20(2)38)35(8)30(19)31(45-21(3)39)25-17-27(42)36(9)37(49-36,34(25,6)7)33(47-23(5)41)32(35)46-22(4)40/h10-16,25-26,28,30-33H,1,17-18H2,2-9H3/b16-15+/t25-,26-,28-,30-,31+,32-,33-,35+,36+,37-/m0/s1
SMILES C=C1C(OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]34O[C@]3(C)C(=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C4(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus yunnanensis Ref.
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