input word = C00049353

Metabolite InformationStructural formula
Name Anisodorin 1
Formula C25H40O5
Mw 420.28757439
CAS RN 220866-39-7
C_ID C00049353 ,
InChIKey MRIXNVIBMMFXCM-ZAIWYNCYNA-N
InChICode InChI=1S/C25H40O5/c1-16-8-9-20-24(5)12-7-11-23(3,4)19(24)10-13-25(20,6)21(16)22(28)30-15-18(27)14-29-17(2)26/h18-21,27H,1,7-15H2,2-6H3/t18-,19+,20+,21+,24+,25+/m0/s1
SMILES C1[C@H]2[C@]([C@H](C(=C)C1)C(=O)OC[C@@H](O)COC(=O)C)(CC[C@H]1[C@]2(CCCC1(C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaDiscodorididaeAnisodoris fontaini Ref.
zoom in