input word = C00020827

Metabolite InformationStructural formula
Name 8alpha-Hypoglabroyloxyjaquinelin
Formula C30H34O7
Mw 506.23045344
CAS RN 81241-44-3
C_ID C00020827 ,
InChIKey VSXMNAOGYKTENA-GZRLPBEENA-N
InChICode InChI=1S/C30H34O7/c1-12-8-20(23-16(5)29(35)37-27(23)24-17(11-31)10-19(32)22(12)24)36-28(34)15(4)18-7-6-14(3)30-21(33)9-13(2)25(30)26(18)30/h9-10,14,16,18,20,23-27,31H,4,6-8,11H2,1-3,5H3/t14-,16-,18-,20-,23+,24-,25+,26+,27-,30+/m0/s1
SMILES C12=C(C[C@@H]([C@@H]3[C@@H]([C@H]1C(=CC2=O)CO)OC(=O)[C@H]3C)OC(=O)C(=C)[C@@H]1CC[C@@H]([C@@]23[C@H]1[C@H]3C(=CC2=O)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHypochoeris glabra Ref.
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OrganismHypochoeris glabra
ReferenceBohlmann,Phytochem.,20,(1981),2371