input word = C00011883

Metabolite InformationStructural formula
Name Melampodinin B
Formula C28H36O12
Mw 564.22067662
CAS RN 81915-80-2
C_ID C00011883 ,
InChIKey HAIAVUKJFSLUSM-LFELOFKXNA-N
InChICode InChI=1S/C28H36O12/c1-9-12(2)24(30)39-23-20-14(4)25(31)38-18(20)10-13(3)21-19(37-21)11-17(26(32)35-8)22(23)40-27(33)28(7,34)15(5)36-16(6)29/h10-12,15,18-23,34H,4,9H2,1-3,5-8H3/b13-10+,17-11+/t12-,15-,18-,19-,20+,21+,22+,23+,28+/m1/s1
SMILES C\1(=C/[C@@H]2[C@@H]([C@@H]([C@H](/C(=C\[C@@H]3[C@H]1O3)/C(=O)OC)OC(=O)[C@](O)(C)[C@@H](C)OC(=O)C)OC(=O)[C@H](C)CC)C(=C)C(=O)O2)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeMelampodium americanum Ref.
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OrganismMelampodium americanum
ReferenceMalcolm,Phytochem.,21,(1982),151