input word = C00054370

Metabolite InformationStructural formula
Name Yucalexin B6
Formula C20H28O2
Mw 300.20893014
CAS RN 88048-00-4
C_ID C00054370
InChIKey ZUZSPZMYVHKHKO-ALUGONPKSA-N
InChICode InChI=1S/C20H28O2/c1-17(2)13-5-8-20-10-9-18(3,12-20)16(22)11-14(20)19(13,4)7-6-15(17)21/h9-10,13-14H,5-8,11-12H2,1-4H3/t13-,14+,18-,19-,20+/m1/s1
SMILES CC1(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@]13C=C[C@](C)(C1)C(=O)C[C@H]32
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeManihot esculent Ref.
PlantaeEuphorbiaceaeManihot esculenta Ref.
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OrganismManihot esculent
ReferenceDelgado, G. et al., Phytochemistry, 1983, 22, 1227 (isol, cryst struct)