input word = C00044648

Metabolite InformationStructural formula
Name Cordialin A
Formula C30H46O5
Mw 486.33452458
CAS RN 85045-04-1
C_ID C00044648 ,
InChIKey DNEQSUWGQYPGFV-VFOICZSJNA-N
InChICode InChI=1S/C30H46O5/c1-17(14-21(32)24-26(4,5)35-24)18-8-10-27(6)19(18)15-20(31)23-28(27,7)11-9-22-25(2,3)30(33)13-12-29(22,23)16-34-30/h14,18-20,22-24,31,33H,8-13,15-16H2,1-7H3/b17-14+/t18-,19-,20-,22+,23+,24-,27-,28-,29-,30+/m1/s1
SMILES C/C(=CC(=O)[C@H]1OC1(C)C)[C@H]1CC[C@]2(C)[C@@H]1C[C@@H](O)[C@@H]1[C@]34CC[C@](O)(OC3)C(C)(C)[C@@H]4CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBoraginaceaeCordia multispicata Ref.
PlantaeBoraginaceaeCordia verbenacea Ref.
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