input word = C00003331

Metabolite InformationStructural formula
Name Microlenin
Formula C29H34O7
Mw 494.23045344
CAS RN 60622-41-5
C_ID C00003331 ,
InChIKey DYQPBOQOSSSYTE-UPTPMWLBNA-N
InChICode InChI=1S/C29H34O7/c1-12-7-19-23(24(32)27(4)17(12)5-6-20(27)30)29(26(34)36-19)10-15-9-21(31)28(29)11-16-14(3)25(33)35-18(16)8-13(2)22(15)28/h5-6,12-13,15-19,22-24,32H,3,7-11H2,1-2,4H3/t12-,13-,15-,16-,17-,18-,19-,22-,23-,24+,27+,28-,29-/m1/s1
SMILES [C@H]12[C@]([C@H]([C@H]3[C@@H](C[C@H]1C)OC(=O)[C@@]13[C@]34[C@H]([C@@H](C[C@@H]5[C@H](C3)C(=C)C(=O)O5)C)[C@H](CC4=O)C1)O)(C(=O)C=C2)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHelenium microcephalum Ref.
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OrganismHelenium microcephalum
ReferenceLee,J. Chem. Soc. Chem. Commun.,(1976),341