input word = C00045672

Metabolite InformationStructural formula
Name Asperuloide C
(-)-Asperuloide C
Formula C28H42O14
Mw 602.25745605
CAS RN 474081-39-5
C_ID C00045672 ,
InChIKey PFSFXJSOGDCTSL-YYZNVYKONA-N
InChICode InChI=1S/C28H42O14/c1-11-5-6-13(19(11)26(36)38-4)15(8-29)25(35)40-17-7-14-16(24(34)37-3)10-39-27(20(14)12(17)2)42-28-23(33)22(32)21(31)18(9-30)41-28/h10-15,17-23,27-33H,5-9H2,1-4H3/t11-,12-,13+,14+,15-,17-,18+,19+,20-,21+,22-,23+,27-,28-/m0/s1
SMILES O1C=C([C@@H]2[C@@H]([C@@H]1O[C@H]1[C@H](O)[C@H]([C@@H]([C@H](O1)CO)O)O)[C@H]([C@H](C2)OC(=O)[C@H]([C@H]1CC[C@@H]([C@H]1C(=O)OC)C)CO)C)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeAsperula maximowiczii Ref.
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