input word = C00038018

Metabolite InformationStructural formula
Name Withacnistin
Formula C30H40O7
Mw 512.27740363
CAS RN 21902-99-8
C_ID C00038018 ,
InChIKey ZQEYWCXMRUYTGT-FCQDQPFHNA-N
InChICode InChI=1S/C30H40O7/c1-15-12-23(36-27(34)16(15)2)17(3)20-6-7-22-19-13-26-30(37-26)25(33)9-8-24(32)28(30,5)21(19)10-11-29(20,22)14-35-18(4)31/h8-9,17,19-23,25-26,33H,6-7,10-14H2,1-5H3/t17-,19+,20+,21-,22-,23+,25-,26+,28-,29+,30+/m0/s1
SMILES CC(=O)OC[C@]12CC[C@H]3[C@@H](C[C@H]4O[C@]45[C@@H](O)C=CC(=O)[C@]35C)[C@@H]1CC[C@@H]2[C@H](C)[C@H]1CC(C)=C(C)C(=O)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeAcnistus arborescens (L.) Schlecht. Ref.
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OrganismAcnistus arborescens (L.) Schlecht.
ReferenceMinguzzi,Phytochem.,59,(2002),635