input word = C00037308

Metabolite InformationStructural formula
Name Iridotectoral A
Formula C30H46O5
Mw 486.33452458
CAS RN 280575-66-8
C_ID C00037308 ,
InChIKey UYSHRHKOHCLBCE-LBPNIXOKNA-N
InChICode InChI=1S/C30H46O5/c1-21(2)10-7-11-22(3)12-8-13-23(4)18-25-19-30(28(33)35-25)27(14-9-17-31)26(24(5)20-32)15-16-29(30,6)34/h8,10,12-13,18,20,25,27-28,31,33-34H,7,9,11,14-17,19H2,1-6H3/b13-8+,22-12+,23-18+,26-24+/t25-,27+,28-,29-,30-/m0/s1
SMILES C\1(=C(/C=O)\C)/CC[C@]([C@]2([C@@H]1CCCO)C[C@@H](O[C@@H]2O)/C=C(/C=C/C=C(/CCC=C(C)C)\C)\C)(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeIridaceaeIris tectorum Ref.
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