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 C=C1C[C@H]2O[C@H]([C@H]3[C@@H]2[C@](C)(OC(C)=O)[C@@H](OC(C)=O)C[C@@H]3C(C)C)C(C)(OC(C)=O)CC[C@@H]1OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaPlexauridaeEunicella labiata Ref.
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