input word =
C00061570
Metabolite Information
Structural formula
Name
4-Hydroxy-7'-epi-chuchuhuanine E-V
Formula
C36H45NO17
Mw
763.26874902
CAS RN
355010-21-8
C_ID
C00061570
InChIKey
VWRGSMDCPWKKRO-UHFFFAOYSA-N
InChICode
InChI=1S/C36H45NO17/c1-15-16(2)31(44)53-28-25(43)29(51-20(6)41)35(14-47-17(3)38)30(52-21(7)42)26(49-18(4)39)23-27(50-19(5)40)36(35,34(28,9)46)54-33(23,8)13-48-32(45)22-11-10-12-37-24(15)22/h10-12,15-16,23,25-30,43,46H,13-14H2,1-9H3/t15-,16+,23-,25+,26-,27-,28+,29+,30-,33+,34+,35+,36+/m1/s1
SMILES
CC(=O)OCC12C(OC(C)=O)C(O)C3OC(=O)C(C)C(C)c4ncccc4C(=O)OCC4(C)OC1(C(OC(C)=O)C4C(OC(C)=O)C2OC(C)=O)C3(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom
Family
Species
Reference
Plantae
Celastraceae
Tripterygium wilfordii
Ref.
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