input word = C00050919

Metabolite InformationStructural formula
Name Isodopharicin E
Formula C44H64O10
Mw 752.44994826
CAS RN 140245-66-5
C_ID C00050919
InChIKey DWIYYVXTZMUIDP-RJYNYLQMNA-N
InChICode InChI=1S/C44H64O10/c1-23(45)52-26-19-42(50)21-40(16-10-28-36(3,4)30(47)12-14-38(28,7)32(26)40)34-25(42)9-18-44(54-34)35(49)41-17-11-29-37(5,6)31(48)13-15-39(29,8)33(41)27(53-24(2)46)20-43(44,51)22-41/h26-33,47-48,50-51H,9-22H2,1-8H3
SMILES CC(=O)O[C@H]1C[C@]2(O)C[C@@]3(CCC4C(C)(C)[C@H](O)CC[C@@]4(C)C13)C(=O)[C@]21CCC2=C(O1)[C@@]13CCC4C(C)(C)[C@H](O)CC[C@@]4(C)C1[C@@H](OC(C)=O)C[C@]2(O)C3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon pharicus Ref.
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