input word = C00062729

Metabolite InformationStructural formula
Name Rhapontisterone B
Formula C27H44O7
Mw 480.30870376
CAS RN 698975-64-3
C_ID C00062729
InChIKey NKDFYOWSKOHCCO-UQOIWTFUSA-N
InChICode InChI=1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3/t15-,17-,19-,20+,21-,22+,24+,25+,26+,27+/m0/s1
SMILES CC(C)(O)CCC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeRhaponticum carthamoides Ref.
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OrganismRhaponticum carthamoides
Referencehttps://doi.org/10.1016/j.fitote.2017.03.015