input word = C00051168

Metabolite InformationStructural formula
Name Kupitengester 1
Formula C34H39NO11
Mw 637.2523111
CAS RN 135063-89-7
C_ID C00051168
InChIKey IZPGMPCNQJBLII-UHFFFAOYNA-N
InChICode InChI=1S/C34H39NO11/c1-19-14-15-25(42-20(2)36)33(18-41-30(39)24-13-10-16-35-17-24)29(44-22(4)38)27(43-21(3)37)26-28(34(19,33)46-32(26,5)6)45-31(40)23-11-8-7-9-12-23/h7-13,16-17,19,25-29H,14-15,18H2,1-6H3
SMILES CC(=O)OC1C2C(OC(=O)c3ccccc3)C3(OC2(C)C)C(C)CCC(OC(C)=O)C3(COC(=O)c2cccnc2)C1OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeCelastrus angulatus Ref.
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OrganismCelastrus angulatus
ReferenceLiu, et al., Huaxue Xuebao, 49, (1991), 502.

Wang, et al., Zhiwu Xuebao, 34, (1992), 777