input word = C00050096

Metabolite InformationStructural formula
Name Eunicellin
(-)-Eunicellin
Formula C28H42O9
Mw 522.28288294
CAS RN 20589-51-9
C_ID C00050096 ,
InChIKey UHTGOZICXQLEID-YOZLAZTNNA-N
InChICode InChI=1S/C28H42O9/c1-14(2)20-13-23(34-17(5)30)28(9,37-19(7)32)25-22-12-15(3)21(33-16(4)29)10-11-27(8,36-18(6)31)26(35-22)24(20)25/h14,20-26H,3,10-13H2,1-2,4-9H3/t20-,21+,22-,23+,24-,25-,26-,27-,28-/m1/s1
SMILES C1[C@@H](C(=C)C[C@@H]2[C@@H]3[C@H]([C@H]([C@](C1)(C)OC(=O)C)O2)[C@H](C[C@@H]([C@@]3(C)OC(=O)C)OC(=O)C)C(C)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaPlexauridaeEunicella labiata Ref.
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