input word = C00045670

Metabolite InformationStructural formula
Name Asperuloide A
(-)-Asperuloide A
Formula C27H38O13
Mw 570.2312413
CAS RN 474081-27-1
C_ID C00045670 ,
InChIKey BQMYRPGSJXGSKG-CFUNWGAENA-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 [C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1O)O[C@@H]1OC=C([C@@H]2[C@@H]1[C@H]([C@H](C2)OC(=O)[C@@H]1COC(=O)[C@H]2[C@H]1CC[C@@H]2C)C)C(=O)OC)CO)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeAsperula maximowiczii Ref.
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