input word = C00030567

Metabolite InformationStructural formula
Name Junceol E
Formula C30H42O11
Mw 578.27271219
CAS RN 1092697-27-2
C_ID C00030567 ,
InChIKey FDQPXZWPZODEBO-IQOQPKHDNA-N
InChICode InChI=1S/C30H42O11/c1-14(2)27(34)40-23-13-21(37-18(6)31)16(4)12-24-30(36,17(5)28(35)41-24)26(39-20(8)33)25-15(3)10-11-22(29(23,25)9)38-19(7)32/h12,14,17,21-26,36H,3,10-11,13H2,1-2,4-9H3/b16-12-/t17-,21+,22-,23-,24-,25+,26-,29+,30-/m0/s1
SMILES C=C1CC[C@H](OC(C)=O)[C@]2(C)[C@@H](OC(=O)C(C)C)C[C@@H](OC(C)=O)/C(C)=C[C@@H]3OC(=O)[C@H](C)C3(O)[C@@H](OC(C)=O)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Junceella juncea Ref.
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