input word = C00035697

Metabolite InformationStructural formula
Name Netzahualcoyol
Formula C31H38O7
Mw 522.26175357
CAS RN 114020-40-5
C_ID C00035697 ,
InChIKey KZDFWLSTGYHGFQ-AVKQNNEJNA-N
InChICode InChI=1S/C31H38O7/c1-16-13-31(27(36)38-7)15-23(33)30(5,26(35)37-6)14-22(31)29(4)11-10-28(3)19(24(16)29)9-8-18-17(2)25(34)21(32)12-20(18)28/h8-9,12,22-23,33-34H,10-11,13-15H2,1-7H3/t22-,23-,28+,29-,30-,31+/m0/s1
SMILES C1(=O)C(=C(C2=CC=C3[C@](C2=C1)(CC[C@@]1(C3=C(C[C@@]2([C@H]1C[C@@]([C@H](C2)O)(C(=O)OC)C)C(=O)OC)C)C)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeCheiloclinium cognatum Ref.
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OrganismCheiloclinium cognatum
ReferenceJeller,Phytochem.,65,(2004),1977