input word = C00045671

Metabolite InformationStructural formula
Name Asperuloide B
(-)-Asperuloide B
Formula C27H38O13
Mw 570.2312413
CAS RN 474081-28-2
C_ID C00045671 ,
InChIKey BQMYRPGSJXGSKG-GMMSXIJXNA-N
InChICode InChI=1S/C27H38O13/c1-10-4-5-12-14(8-36-25(34)18(10)12)24(33)38-16-6-13-15(23(32)35-3)9-37-26(19(13)11(16)2)40-27-22(31)21(30)20(29)17(7-28)39-27/h9-14,16-22,26-31H,4-8H2,1-3H3/t10-,11-,12-,13+,14-,16-,17+,18+,19-,20+,21-,22+,26-,27-/m0/s1
SMILES COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](OC(=O)[C@H]3COC(=O)[C@H]4[C@@H]3CC[C@@H]4C)C[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeAsperula maximowiczii Ref.
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