input word = C00012264

Metabolite InformationStructural formula
Name Gigantanolide B
Formula C20H26O6
Mw 362.17293856
CAS RN 112372-88-0
C_ID C00012264 ,
InChIKey WYVBLVKLUBGQFO-XYQYNPCHNA-N
InChICode InChI=1S/C20H26O6/c1-5-12(3)19(23)26-18-14(10-21)8-6-7-11(2)9-15-16(17(18)22)13(4)20(24)25-15/h5,8-9,15-18,21-22H,4,6-7,10H2,1-3H3/b11-9+,12-5-,14-8-/t15-,16-,17-,18-/m1/s1
SMILES C=C1C(=O)O[C@H]2/C=C(C)CC/C=C(/CO)[C@@H](OC(=O)/C(C)=CC)[C@H](O)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeMontanoa gigas Ref.
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