input word = C00055564

Metabolite InformationStructural formula
Name Biguaiascorzolide B
Formula C30H38O6
Mw 494.26683895
CAS RN 1178553-46-2
C_ID C00055564
InChIKey RDJVOTQNWJTZTP-QYHMIQQDSA-N
InChICode InChI=1S/C30H36O6/c1-13-5-8-19-15(3)29(33)35-27(19)26-20(24(32)11-21(13)26)10-7-17-6-9-18-14(2)23(31)12-22-16(4)30(34)36-28(22)25(17)18/h7,15-16,18-22,25-28H,1-2,5-6,8-12H2,3-4H3/b17-7+/t15-,16+,18+,19-,20+,21-,22+,25+,26-,27?,28+/m1/s1
SMILES C=C1CC[C@H]2C(OC(=O)[C@@H]2C)[C@H]2[C@@H]1CC(=O)[C@@H]2C/C=C1CC[C@H]2C(=C)C(=O)C[C@@H]3[C@H](OC(=O)[C@H]3C)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeScorzonera austriaca Ref.
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OrganismScorzonera austriaca
ReferenceZhu, Y. et al., Food Chem., 2009, 114, 1316-1320 (Biguaiascorzolides A,B)