input word = C00044649

Metabolite InformationStructural formula
Name Cordianol A
(+)-Cordianol A
Formula C30H50O6
Mw 506.36073933
CAS RN 263723-40-6
C_ID C00044649 ,
InChIKey CYPWUGDZIQZKDA-GVWQRILXNA-N
InChICode InChI=1S/C30H50O6/c1-17(14-21(32)24(33)26(4,5)34)18-8-10-27(6)19(18)15-20(31)23-28(27,7)11-9-22-25(2,3)30(35)13-12-29(22,23)16-36-30/h14,18-24,31-35H,8-13,15-16H2,1-7H3/b17-14+/t18-,19-,20-,21+,22+,23+,24+,27-,28-,29-,30+/m1/s1
SMILES O1[C@@]2(C([C@H]3[C@@](C1)([C@@H]1[C@@](CC3)([C@]3([C@H](C[C@H]1O)[C@H](CC3)/C(=C/[C@H](O)[C@H](O)C(C)(O)C)/C)C)C)CC2)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBoraginaceaeCordia multispicata Ref.
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