input word = C00056963

Metabolite InformationStructural formula
Name Oleuricine A
Formula C31H42O18
Mw 702.23711454
CAS RN 1229987-99-8
C_ID C00056963
InChIKey SSVWRFSKXASYIH-OEUACMKRSA-N
InChICode InChI=1S/C31H42O18/c1-3-14-15(9-21(35)44-7-6-13-4-5-17(33)18(34)8-13)16(28(42)43-2)11-45-29(14)49-31-27(41)25(39)23(37)20(48-31)12-46-30-26(40)24(38)22(36)19(10-32)47-30/h3-5,8,11,15,19-20,22-27,29-34,36-41H,6-7,9-10,12H2,1-2H3/b14-3+/t15-,19+,20+,22+,23+,24-,25-,26+,27+,29-,30+,31-/m0/s1
SMILES O[C@@H]1[C@@H](CO)O[C@@H](OC[C@H]2O[C@@H](O[C@@H]3OC=C(C(OC)=O)[C@@H](CC(OCCC4=CC(O)=C(O)C=C4)=O)/C3=CC)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOleaceaeOlea europaea Ref.
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