input word = C00044729

Metabolite InformationStructural formula
Name Draconin B
(-)-Draconin B
Formula C42H62O16
Mw 822.40378593
CAS RN 565205-16-5
C_ID C00044729 ,
InChIKey RKZQYSQHBPDHHB-FUMGXRNWNA-N
InChICode InChI=1S/C42H62O16/c1-17-15-52-42(37(50)31(17)47)18(2)30-28(58-42)14-26-24-9-8-22-12-23(45)13-29(41(22,7)25(24)10-11-40(26,30)6)56-38-35(33(49)27(46)16-51-38)57-39-36(55-21(5)44)34(54-20(4)43)32(48)19(3)53-39/h8,18-19,23-39,45-50H,1,9-16H2,2-7H3/t18-,19-,23+,24+,25-,26-,27-,28-,29+,30-,31-,32-,33-,34+,35+,36+,37-,38-,39-,40-,41-,42-/m0/s1
SMILES C=C1CO[C@@]2(O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H](O)C[C@@H](O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](OC(C)=O)[C@H]7OC(C)=O)[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDracaenaceaeDracaena draco Ref.
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