input word = C00044657

Metabolite InformationStructural formula
Name Cordianol I
(+)-Cordianol I
Formula C31H52O6
Mw 520.37638939
CAS RN 613668-32-9
C_ID C00044657 ,
InChIKey QDCKMBPGZJSBGP-RAMHHZRINA-N
InChICode InChI=1S/C31H52O6/c1-17(15-21(33)25(34)28(4,5)35)18-9-12-29(6)19(18)16-20(32)24-30(29,7)13-10-22-27(2,3)23-11-14-31(22,24)26(36-8)37-23/h15,18-26,32-35H,9-14,16H2,1-8H3/b17-15+/t18-,19-,20-,21+,22+,23+,24+,25+,26+,29-,30-,31-/m1/s1
SMILES CO[C@H]1O[C@H]2CC[C@@]13[C@H]1[C@H](O)C[C@@H]4[C@@H](/C(C)=C/[C@H](O)C(O)C(C)(C)O)CC[C@@]4(C)[C@]1(C)CC[C@H]3C2(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBoraginaceaeCordia multispicata Ref.
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