input word = C00063948

Metabolite InformationStructural formula
Name Withafastuosin E
Formula C28H40O7
Mw 488.27740363
CAS RN 160954-07-4
C_ID C00063948
InChIKey UCOUIXCKSZUAKU-UGEBWOCTSA-N
InChICode InChI=1S/C28H40O7/c1-15-11-22(35-25(33)17(15)13-29)18(14-30)20-7-6-19-16-12-24(32)28(34)9-4-5-23(31)27(28,3)21(16)8-10-26(19,20)2/h4-5,16,18-22,24,29-30,32,34H,6-14H2,1-3H3/t16?,18-,19?,20+,21?,22+,24+,26-,27-,28-/m0/s1
SMILES CC1=C(CO)C(=O)OC(C(CO)C2CCC3C4CC(O)C5(O)CC=CC(=O)C5(C)C4CCC23C)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeDatura metel Ref.
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