input word = C00064222

Metabolite InformationStructural formula
Name Salvadione B
Formula C30H42O5
Mw 482.30322445
CAS RN 252032-73-8
C_ID C00064222
InChIKey QXPZXEGAVVDUNB-GBJBNFHXSA-N
InChICode InChI=1S/C30H42O5/c1-8-18-14-19-21-25(6,7)35-30(34)23(32)28(19)16-27(33)12-9-11-24(4,5)20(27)10-13-26(28,15-18)22(31)29(21,30)17(2)3/h8,14,17,19-21,33-34H,1,9-13,15-16H2,2-7H3/t19-,20+,21+,26+,27+,28-,29-,30+/m1/s1
SMILES C=CC1=CC2C3C(C)(C)OC4(O)C(=O)C25CC2(O)CCCC(C)(C)C2CCC5(C1)C(=O)C34C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSalvia bucharica Ref.
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